Program

The ACA is pleased to share the following schedule of events and sessions (which are tentative and subject to change).  

 

 

REC Registration Reception

Friday, 7/19/2019 @ 6:30 PM | Marriott

 
Stop in to pick up your registration packet or to register for the meeting so you do not have to rush before workshops on Saturday!
 
 

WK1 Advanced Structural Characterization of Nanomaterials

Saturday, 7/20/2019 @ 8:30 AM | NKCC

 
Modern diffraction instruments allow the collection of scattering data containing a complete structural finger print of nano particles including atom-atom pair information from every aspect, e.g. the core, shell and possible ligand contributions. The analysis and modeling of total scattering data is becoming a growing area of interest and need in the crystallographic community. While past workshops have focused on total scattering and local structure in general, we are proposing a workshop focused on modeling nanoparticles from total scattering data. The workshop will include lectures of science examples and method overview as well as extensive hands-on exploration of the DiffPy package (www.diffpy.org) and the DISCUS software suite (tproffen.github.io/DiffuseCode/). This allows participants to learn about modeling from using a simple unit cell based model with a shape function all the way to modeling a complete disordered nanoparticle with refinable model parameters.

 


WK2 Accelerating Your Career Development

Saturday, 7/20/2019 @ Time to Be Determined | NKCC

 
Searching for jobs in science can be a daunting and challenging process. This half-day workshop will focus on identifying potential opportunities, building an application, and networking. This workshop is being programmed to target undergraduates, graduate students, and postdoctoral fellows. We are inviting a diverse group of speakers to speak to a wide range of available options for employment both in academia and industry. This workshop will include presentations with practical tips for job searching and a networking speed-dating activity in which students will have the opportunity to meet in small groups with established scientists attending the conference. This workshop will offer those coming to the ACA to start their job search a great head start, and a wide range of perspectives to consider for students earlier in their education.
 

WK3 Introduction to PHENIX for Electron Cryo-Microscopists

Saturday, 7/20/2019 @ 8:30 AM | NKCC

 
The purpose of the workshop is to train researchers in the use of the PHENIX software for macromolecular structure determination using electron cryo-microscopy. The workshop will benefit the structural biology community by making the use of this software accessible to a broader group of crystallographers and electron microscopists, by teaching them when and how to use the software properly, and how to get the most out of the software. The workshop will have two components. The morning session will introduce the PHENIX system and the core algorithms that it uses. The afternoon session will be a hands-on tutorial for researchers. The morning session will begin with an overview of PHENIX that introduces what the PHENIX software can do, how it is organized, and how it is used. Then the new electron cryo-microscopy features in PHENIX will be presented along with the key algorithms used in structure solution including map improvement and automated model-building. Next the algorithms for structure refinement will be described with emphasis on the core concepts. Then the extensive validation available during and after structure determination with PHENIX will be described. During the morning break the attendees that do not already have the software will install PHENIX on their computers. This process takes about 5 minutes with Linux, Mac OSX, and Windows operating systems.  In the afternoon there will be tutorials. These will focus on map improvement, model-building, structure refinement and validation.
 
CHAIRS: Paul Adams
 
 

WK4  Saturday Morning Serial Crystallography: Obtaining Protein Structure from Many Crystals

Saturday, 7/20/2019 @ 8:00 AM | NKCC

 
Serial diffraction experiments at many macromolecular crystallography beamlines are becoming routine, relaxing the requirement for large, well diffracting protein crystals and enabling potential structure solutions for targets not otherwise amenable to classical methods. Furthermore, serial crystallography opens the doors to a wide variety of exciting new time resolved experiments, providing new ways to study protein dynamics. A hands-on workshop on the collection and processing of serial diffraction data would go a long way to educate the structural biology community on how these powerful methods can benefit the structural study of biomolecules. It will also increase awareness of the increasingly available user facilities for these experiments (such as the standard serial crystallography setups at LCLS, SSRL, CHESS, DLS, and other beamlines). Here, we propose such a workshop, geared toward graduate students and postdoctoral researchers with some previous knowledge of biomolecular crystallography. The workshop will be broadly broken into three parts. First, beamline scientists will introduce the concepts of serial crystallography and discuss experimental design and procedure. Second, beamline scientists will do a live demonstration of serial data collection via remote connection to one of the beamlines at CHESS and/or SSRL, with a demonstration of automated data analysis. The third part will be a “Data Frames to PDB” session for offline data reduction and processing, where workshop participants will be given sample data sets and work through diffraction image processing, with assistance from software experts. Participants may also bring in and get assistance with their own data.
 

WK6 - Phase Identification and Materials Characterization Using Powder X-ray Diffraction

Saturday, 7/20/2019 @ 8:30 AM | NKCC

 

Powder diffraction continues to grow as an important technique for materials characterization and phase identification. Service crystallographers, researchers in government laboratories and industries, graduate students, postdocs, and professors, benefit from this fast and versatile analytical tool. This hands-on workshop is designed to introduce participants to resources available to properly identify crystalline phases from powder diffraction patterns, registered mainly with conventional laboratory equipment. A brief discussion of the fundamentals of Powder Diffraction, instrumentation and best practices for data collection will be presented in the morning session. The practical sessions in the afternoon will include use of the PDF-4+ Database, search/match procedures, and advanced data mining capabilities of the database. 

CHAIRS:

Thomas Blanton

 

Graciela Díaz de Delgado

 

 


PL1 Trueblood Award: Brian Toby & Robert Von Dreele

Sunday, 7/21/2019 @ 8:00 AM | NKCC

 
To recognize exceptional achievement in computational or chemical crystallography. The award is established in memory of Professor Kenneth N. Trueblood, UCLA 1949-1998, who was a major force in the early use of computers and the development of crystallographic computer programs. He applied these programs to the examination of chemical and molecular details of many structures at the frontiers of research. His contribution to the famous work on vitamin B12 is one example. Professor Trueblood was a leader in the development of techniques for analysis of anisotropic motion and was also a superb teacher and a lucid author.
 

T1 Transactions—Data Best Practices:  Current State and Future Needs

Sunday, 7/21/2019 @ 9:00 AM | NKCC

Supporting SIGS: BPDAA, CryoEm, BioMac, Light Sources, General Interest, Small Angle Scattering, Industrial, Small Molecule

 

Questions about data are common to many of the specialized interest groups within the ACA, whether focused on biological or small molecule X-ray crystallography, neutron or electron diffraction, or cryoEM. This symposium will be an opportunity to hear about current data challenges from light sources, public data archives, and computational methods groups, and will provide a community forum to ask questions that will define future science in the upcoming years.  How are big data experiments enabling new science?  What do we expect from a good detector? Which data should be saved and which thrown away? How much of the data should be shared?  Can my peers reproduce the results?  Are the journals and databases serving present needs?  What could beamlines do differently?  What misconceptions have you noticed?  Our hope is that the symposium will provide an informative and provocative platform for these topics.
 

1.1.1 Macromolecular Structure Under Physiological Conditions

Sunday, 7/21/2019 @ 9:00 AM | NKCC

Supporting SIGS: BioMac, Small Angle Scattering

 
Most high-resolution biomolecular structures, whether obtained from crystallography or cryoEM, were determined using samples at cryogenic temperatures, far from physiological conditions. However, we have a limited understanding of how cryo-preservation affects structures and in turn may bias our understanding of biological function. This session will cover techniques to study biomolecular structure at physiological temperatures using solution scattering and room-temperature crystallography as well as other complementary and hybrid methods. Also covered will be topics of molecular flexibility and disorder, conformational ensembles, and time-resolved phenomena. Of special interest to this session are comparisons of cryogenic and room temperature structures and structures under biologically extreme conditions.
 
CHAIRS: Richard Gillilan
  Aina Cohen
 
 

1.1.2 Cutting Edge Studies using Cryo Electron Microscopes

Sunday, 7/21/2019 @ 9:00 AM | NKCC

Supporting SIGS: CryoEM, Canadian Div.

 
The goal of this session is to present the most cutting edge technical advances and scientific discoveries in cryo Electron Microscopy and Tomography.
 
CHAIRS: Rui Zhao
  Stephen Burley
 
 

1.1.3 Morphological Characterization of Porous Materials

Sunday, 7/21/2019 @ 9:00 AM | NKCC

Supporting SIGS: Small Angle Scattering, Materials, Powder Diffraction

 

Porous materials ranging from porous carbons, silica aerogels to metal-organic frameworks and zeolites have a variety of applications in environment-, energy- and healthcare- related applications such as gas capture and separation, energy storage and conversion, catalyst supports, and hosts for biomolecule immobilization. Small angle scattering techniques including X-Ray, neutron and light scattering, have been extensively used in characterizing meso- and nano-scale that give rise to interesting properties of porous materials. The focus of this session will be on recent advances in pore morphologies, i.e. porosity, pore size distribution, pore accessibility, and kinetic changes of structures under various experimental conditions through the applications of scattering techniques, combined with diffraction, imaging, conventional porosimetry and computer simulation methods.
 
CHAIRS: Lilin He
  Tao Li
  Charl J Jafta
 
 

1.1.4 Crystallography in the Geosciences

Sunday, 7/21/2019 @ 9:00 AM | NKCC

Supporting SIGS: Small Molecule, Neutron, Materials, Powder Diffraction

 
This session aims to highlight geoscience research in which crystal structure determination was a key component. Abstracts are encouraged on, but not limited to: crystal chemistry, petrology, mineral physics, time-resolved spectroscopy, biomineralization, and mineralogy in medicine.
 

TMT1 Three Minute Thesis

Sunday, 7/21/2019 @ 12:00 PM | NKCC

Supporting SIGS: YSIG

 
These sessions are fully populated by accepted abstracts submitted to all scientific sessions by young scientists including postdoctoral, graduate, and undergraduate students. Authors will present a 3-minute thesis talk that gives a broad overview of key discoveries, methods, and/or applications of their research while minimizing technical language. Therefore, these sessions will be accessible to a general audience and provide a rapid overview of the impact young scientists have on the field of crystallography. Each presentation is 3 minutes with 1 powerpoint slide and no questions. The 3-minute thesis completion will run parallel qualifying rounds on Sunday July 21 and a finals round on Monday July 22 where top presenters will compete for prizes. Please indicate your willingness to participate as a presenter in this session on the abstract submission form. Presenters will also give their full poster or oral presentation in the session to which their abstract was originally accepted.
 

T2 Transactions—Data Best Practices:  Current State and Future Needs

Sunday, 7/21/2019 @ 1:30 PM | NKCC

Supporting SIGS: BPDAA, CryoEM, BioMac, Light Sources, General Interest, Small Angle Scattering, Industrial, Small Molecule

 
Questions about data are common to many of the specialized interest groups within the ACA, whether focused on biological or small molecule X-ray crystallography, neutron or electron diffraction, or cryoEM. This symposium will be an opportunity to hear about current data challenges from light sources, public data archives, and computational methods groups, and will provide a community forum to ask questions that will define future science in the upcoming years.  How are big data experiments enabling new science?  What do we expect from a good detector? Which data should be saved and which thrown away? How much of the data should be shared?  Can my peers reproduce the results?  Are the journals and databases serving present needs?  What could beamlines do differently?  What misconceptions have you noticed?  Our hope is that the symposium will provide an informative and provocative platform for these topics.
 

1.2.1 Structure Without Structure [Structural Dynamics Session]

Sunday, 7/21/2019 @ 1:30 PM | NKCC

Supporting SIGS: YSIG, BioMac, Canadian Div.

 
This session provides a platform for presenting new ideas and novel research related to the study of conformational heterogeneity and dynamics in molecules. With relevant themes spanning protein folding to neuro-degeneration and chaos theory, and techniques including small-angle X-ray/neutron scattering (SAXS/SANS), NMR, and hybrid methods, this cross-discipline session aims to paint a cohesive picture for studying proteins and molecules alike that do not necessarily assume a single well-defined state, but rather exist as ensembles of interconverting states. At the macromolecular scale, these proteins, often referred to as intrinsically disordered proteins (IDPs), have a range of cellular functions, and their deregulation contributes to a variety of diseases. Topics will include examples of relevant research, novel approaches to the study of structural dynamics in folded proteins, and the integration of computational and experimental methods. Abstracts related to any aspect of structural dynamics, including the study of nucleic acids or small-molecules, methods development, and new biophysical insights are welcome. The Structure without Structure session is honored to host the Judith Flippen-Anderson memorial lecture.
 

1.2.2 Crystallography at Extreme Conditions

Sunday, 7/21/2019 @ 1:30 PM | NKCC

Supporting SIGS: Small Molecule, Neutron, Materials, Powder Diffraction

 

This session is meant to focus on experiments and challenges in crystallography measured at extreme pressure or temperature conditions. The study of matter at extreme conditions has lead to innovations in a wide variety of fields, such as geophysics and energetic materials, as well as advances in our understanding of chemical bonding relevant to planetary evolution and the formation of life. However, the application of crystallographic techniques at nonstandard pressures and temperatures brings a large suite of challenges to the enterprising scientist. In many cases, angular range is severely restricted, x-ray transmission is low, sample size is microscopic, and/or diffraction peaks may greatly broaden. In some cases, the chemical interaction between the desired sample and its environment is unexpected or not well understood at the experimental conditions. Fortunately, the collection of data at synchrotron facilities serves to greatly enhance data quality, enabling in situ experimentation simultaneous with diffraction. Additionally, technological advances in experimental devices such as the diamond anvil cell and creative efforts in sample alignment have allowed for improved data collection, greatly enhancing the region of reciprocal space collected in samples such as these. However, these experiments are often heroic, and extracting crystal structures and understanding the physics of materials under extreme conditions is not a trivial endeavor. Here we mean to present the state of modern crystallography at high pressure and temperature conditions, and to explore the challenges of the technique going forward and victories that many have had thus far, particularly in the fields of physics, chemistry, and geoscience. We hope that this session will allow participants to get an insight into how they can push the boundaries of their data. Abstracts on high pressure, high temperature, or unique atmospheres will be considered.
 

1.2.3 Understanding Polymer Structure and Dynamics During and After Processing

Sunday, 7/21/2019 @ 1:30 PM | NKCC

Supporting SIGS: Small Angle Scattering

 
The crystallinity and morphology of polymeric systems can differ greatly as a result of their processing (i.e. injection molding, blown film lines, extrusion, and high shear mixing to name a few). The resulting changes in crystallinity, orientation, and self-assembly caused by the combination of high temperatures and shear can alter the mechanic, barrier, and overall performance of the final part. In this session we wish to showcase researchers who have been using advanced scattering, both small and wide angle X-ray and Neutron, techniques to probe the effect of processing on the polymer systems. Both in situ and post mortem analyses should submit for this session.
 

1.2.4 Magnetic, Quantum, and Electronic Correlated Materials

Sunday, 7/21/2019 @ 1:30 PM | NKCC

Supporting SIGS: Neutron, Materials, Powder Diffraction

The area of quantum materials is increasingly central to fundamental and applied research as we seek new materials for storing and manipulating quantum information. Besides chemical composition, crystal structure plays a key role in designing these next generation materials. Our session focuses on how symmetry controls the magnetic and electronic properties of quantum materials. Here, we include spin liquid materials, topological insulators, superconductors, and strongly correlated phases in the category of quantum materials.
 

PS1 Poster Session #1

Sunday, 7/21/2019 @ 5:30 PM | NKCC

 

The ACA holds three evening poster sessions. Poster sessions are organized by the Poster Chairs and feature presentations covering a range of crystallography topics. Poster presentations may not seem as prominent as oral presentations, but they offer a terrific opportunity to interact with other scientists in your field in a structured way.

 

CHAIRS: Louise Dawe
  David Rose

 

 

1.3.1 Open Exchanges in Crystallographic Education

Sunday, 7/21/2019 @ 7:30 PM | NKCC

Supporting SIGS: YSSIG, Continuing Education Committee

 
This Sunday evening session offers an informal platform for speakers to communicate their approaches and techniques that promote the learning process of X-ray crystallography.  The short format of this session (10 minute talks) will encourage speakers and attendees to freely share ideas on focused topics that range from innovative hands-on exercises, virtual resources, and novel must-have classroom modules.  Also, several intervening breaks provided by industry sponsors will offer import opportunities for networking and discussion. 
 

PL2 Frankuchen Award: Eaton (Ed) Lattman

Monday, 7/22/2019 @ 8:00 AM | NKCC

 
To recognize contributions to crystallographic research by one who is known to be an effective teacher of crystallography. There are no geographic or age restrictions. The honoree delivers a lecture to the Association and at the recipient’s home institution or at another institution of the recipient’s choice. Established in 1971 in memory of Dr. I. Fankuchen, Professor of Physics at the Polytechnic Institute of Brooklyn from 1942 to 1964.
 

2.1.1 Structure in Cancer Biology I

Monday, 7/22/2019 @ 9:00 AM | NKCC

Supporting SIGS: BioMac, Canadian Div.

 
Structure in cancer biology is an ever-burgeoning area of research as new drug targets and cancer mutants are being discovered and evaluated. We welcome contributions concerning mechanisms in DNA repair, metabolic signaling, protein quality control, cancer immunotherapy, cell signaling, or anything else as it relates to cancer, all with an element of structure. 
 

2.1.2 Micro-Electron Diffraction

Monday, 7/22/2019 @ 9:00 AM | NKCC

Supporting SIGS: BPDAA, CryoEM

 
It is now possible to routinely determine atomic resolution structures by electron cryo-microscopy (cryoEM), facilitated in part by the method known as micro electron-diffraction (MicroED). MicroED has helped determine a variety of protein structures ranging in molecular weight from a few hundred Daltons to several hundred thousand Daltons. The resolutions of structures obtained thus far range from 3.2Å to 1.0Å, with most better than 2.5Å.  This half-day session explores recent advances in the use of electron diffraction from nano-/micro-sized crystals for structure determination, for both biology and materials science applications.
 
CHAIRS: Tamir Gonen
  Gerd Rosenbaum
 
 

2.1.3 Diffuse Scattering for Biological Structure and Dynamics

Monday, 7/22/2019 @ 9:00 AM | NKCC

Supporting SIGS: Small Angle Scattering

Presented with Support from:

     

 
Recent advances in X-ray sources and detectors have inspired new methods based on measurement of the total scattering from protein crystals. The pattern of diffuse scattering between the Bragg peaks, ignored during conventional data processing, contains information about displacement correlations over large distances that cannot be obtained from the Bragg data alone. Exciting applications have emerged in recent years. For example, diffuse scattering might transform our understanding of protein allostery by providing a long-sought experimental check on dynamical models commonly derived from Bragg data, which only contain information about the mean electron density. Although applications to biology are relatively new, diffuse scattering has has a long history in materials research, and deep connections to related techniques including solution scattering and coherent diffractive imaging. In this session, we will bring together pioneers of biological diffuse scattering and related communities to explore current challenges and opportunities for the future.
 
CHAIRS: Steve Meisberger
  Mike Wall
 
 

2.1.4 Solid State NMR Crystallography

Monday, 7/22/2019 @ 9:00 AM | NKCC

Supporting SIGS: Small Molecule, Neutron, Materials, Powder, Canadian Div.

Presented with Support from:

The session on NMR crystallography will build on similar sessions at the 2017 and 2018 ACA meetings and focus on this growing field that seeks to interrogate the crystalline state of matter using magnetic resonance and related methods. Talks in the session will focus on the use of nuclear and electronic spin degrees of freedom to explore crystal growth, de novo structure determination, structural disorder, macromolecular assemblies, and small molecules. Where possible, speakers will emphasize the synergy between diffraction-based methods and magnetic resonance. 
 

2.1.5 Crystal Structure Solution from Powder Data

Monday, 7/22/2019 @ 9:00 AM | NKCC

Supporting SIGS: Powder, Materials, Neutrons

This session highlights advanced in crystal structure solution from powder diffraction techniques, as well as in combination with computational crystal modeling, spectroscopy, and local structure data. Emphasis is also placed in the solution of complex organic, inorganic and metal-organic materials with high accuracy.

CHAIR: Fernando Uribe-Romo

2.1.6 What is a Crystal, In Time & Space

Monday, 7/22/2019 @ 9:00 AM | NKCC

Supporting SIGS: Small Molecule

The definition of what a crystal is, changes every year and now even time has been found as a degree of order. Gautam R. Desiraju summed up the problem in defining what a crystal is in his 2003 Science paper(a)  “It seems that the issue is not how one defines crystal but how one should define order.”  This one-half day symposium will explore the most recent concepts of what a crystal is (and is not) including observations on pharmaceutical and material solids, from amorphous to dimensional and time ordered. 

   a) Desiraju, G. R., Crystal: In search of clarity. Nature 2003, 423, 485.

 

CHAIR: Joseph H. Reibenspies

 


TMT2 Three Minute Thesis - Finals

Monday, 7/22/2019 @ 12:00 PM | NKCC

Supporting SIGS: YSIG

 
These sessions are fully populated by accepted abstracts submitted to all scientific sessions by young scientists including postdoctoral, graduate, and undergraduate students. Authors will present a 3-minute thesis talk that gives a broad overview of key discoveries, methods, and/or applications of their research while minimizing technical language. Therefore, these sessions will be accessible to a general audience and provide a rapid overview of the impact young scientists have on the field of crystallography. Each presentation is 3 minutes with 1 powerpoint slide and no questions. The 3-minute thesis completion will run parallel qualifying rounds on Sunday July 21 and a finals round on Monday July 22 where top presenters will compete for prizes. Please indicate your willingness to participate as a presenter in this session on the abstract submission form. Presenters will also give their full poster or oral presentation in the session to which their abstract was originally accepted.
 

2.2.1 Powder Diffraction in Industry

Monday, 7/22/2019 @ 1:30 PM | NKCC

Supporting SIGS: Powder, Industrial

Presented with Support from:

 
Powder diffraction is utilized in a wide variety of industries for a very wide range of materials, including pharmaceuticals, polymers, pigments, ceramics, cements, catalysts, petrochemicals, batteries and minerals. As such, it is unsurprising that one of the catchphrases used in the field is “everything’s a sample”. Determining the crystal structure of a novel crystalline phase is often only half the task of fully developing a structure-property correlation.  Pursuing the latter with an incorrect structure can result in a waste of resources and the development of inappropriate conclusions. It is therefore important to understand, and have confidence in, the structures of all phases present in a sample under in situ and/or in operando conditions. This session will include examples of the application of powder diffraction to a variety of industrial problems, both at ambient and non-ambient conditions. Its use along with other complementary techniques, such as DFT-D, to tackle challenging structures, will also be covered.
 
CHAIRS: James A. Kaduk
  Elena Kabova
 
 

2.2.2 New Toys: Sources, Beamlines and Detectors

Monday, 7/22/2019 @ 1:30 PM | NKCC

Supporting SIGS: Light Sources, Neutron, Materials, Powder, Canadian Div.

 
The development of new sources and instrumentation has always been a main driver for advances in diffraction methods.  The purpose of this session is to highlight recent and exciting advances in facilities developments, comprising results from new large scale facilities, new beamlines and innovations in detectors and beamline instrumentation, and how they are applied to increasingly challenging scientific problems.
 

2.2.3 Locating and Refining H Atoms Using X-rays, Neutrons, and Solid-State NMR

Monday, 7/22/2019 @ 1:30 PM | NKCC

Supporting SIGS: Materials, Powders, Neutrons, Service Crystallography, Small Molecule

 
Despite the enormous successes of crystallography, locating hydrogens has remained a challenge.  Small molecule x-ray studies often report hydrogen positions, but the accuracy of these sites is understood to be significantly worse than that obtained for non-hydrogen atoms.  In macromolecules, the situation is even worse and many studies make no attempt to position hydrogens at all.  More accurate crystallographic characterization of hydrogens is possible using neutron diffraction data, but this is problematic because neutron sources are less available and, at present, neutron structures constitute less than 1% of the Cambridge Structural Database.  In the past decade, improvements in x-ray methods, developments in solid-state NMR and studies involving electron diffraction have provided new approaches for locating hydrogens.  The focus of this session is on these developments.

2.2.4 General Interest l

Monday, 7/22/2019 @ 1:30 PM | NKCC

Supporting SIGS: General Interest, YSIG

 
General Interest sessions are the forum for topics of broad interest to the crystallographic community or for presentations that do not fit the specific theme of other sessions. All presentations are selected from submitted abstracts.
 

2.2.5 Crystallization on the International Space Station

Monday, 7/22/2019 @ 1:30 PM | NKCC

Supporting SIGS: Service Crystallography, Small Molecule, General Interest, BioMac, Materials, Powder Diffraction, Neutron

 

The mission of the Center for the Advancement of Science in Space (CASIS) is to maximize the utilization of the International Space Station U. S. National Laboratory (ISS National Lab) for research and technology development aimed at benefitting humankind. CASIS supports collaboration with NASA, other government agencies, not for profit institutions, industry partners, and commercial entities committed to exploring the intellectual, technological and economic opportunities offered by space.


CASIS is actively engaged in supporting projects utilizing the ISS National Lab for a variety of life and physical sciences crystallization experiments – organic and inorganic molecules. In addition to supporting current flight projects CASIS is working with the user community to outline the basic science requirements for a long-term crystallization program aboard the ISS National Lab.


In 2018 CASIS initiated two separate programs with Oakridge National Labs and Frederick National Labs. Both programs will utilize the ISS National Lab in order to further their respective structural biology efforts. Additionally, in 2018 CASIS issued a new RFP for the use of ISS National Lab as a platform of microgravity molecular (organic and inorganic) crystal growth, https://www.iss-casis.org/research-on-the-iss/solicitations/. Finally in collaboration with NASA, CASIS has begun work toward enabling real time crystallization onboard the ISS National Lab.


This session will provide a forum for the following topics. How to access the ISS National Laboratory platform for all types of crystal growth. Hardware, methodologies, capabilities for microgravity crystallization – organic and inorganic. Physics and chemistry of microgravity crystallography. Results from crystallography experiments aboard the ISS National Laboratory. STEM Outreach Programs for space/ground crystallography. 

 

WK5A Cryo-EM Workshop I : Image Processing

Monday, 7/22/2019 @ 1:30 PM | NKCC

 

Cryo-EM is rapidly becoming the method of choice for structure determination of proteins larger than ~100 kDa, including membrane proteins, large assemblies and multi-protein complexes. Cryo-EM instrumentation is being installed in many universities, and is also available at large multiuser facilities both in the U.S. and worldwide. This workshop, which will be held on two consecutive afternoons during the ACA 2019 main meeting (Mon. and Tues.), will introduce scientists with crystallographic backgrounds to procedures used cryo-EM.


Lectures will focus on the steps involved in producing a Cryo-EM map, from specimen preparation and data collection through to image processing and reconstruction. Aspects of workshop will be hands-on: state-the-art programs will be used by the students to process sample datasets.


This workshop will benefit those who want to use Cryo-EM in the future, or who have recently transitioned into it. We will strive to include up-to-date discussions of cutting-edge methods and technology.

 

PS2 Poster Session #2

Monday, 7/22/2019 @ 5:30 PM | NKCC

The ACA holds three evening poster sessions. Poster sessions are organized by the Poster Chairs and feature presentations covering a range of crystallography topics. Poster presentations may not seem as prominent as oral presentations, but they offer a terrific opportunity to interact with other scientists in your field in a structured way. 

 

CHAIRS: Louise Dawe
  David Rose

 

 

YSIGMIX YSIG Mixer

Monday, 7/22/2019 @ 8:00 PM | OFFSITE: TBA

Presented with Support from:

With support from Bruker, the YSIG is excited to host a Young Scientists Mixer.  Join  fellow conference attendees and exhibitors on Monday, July 22nd to meet and mingle. This event is an opportunity to connect with other scientists in a fun relaxed atmosphere. This event is held offsite and gives meeting goers the opportunity to explore Northern Kentucky, which offers a blend of cosmopolitan sophistication and southern hospitality.  The mixer is FREE for registered students and postdocs but you must indicate on the registration form that you will attend. Tickets are required. 

PL3 Bau Award: Bryan Chakoumakos

Tuesday, 7/23/2019 @ 8:00 AM | NKCC

 
The award is in memory of Professor Robert Bau, University of Southern California (1969-2008) and President of ACA in 2006.  A much beloved teacher and mentor, Professor Bau made major contributions to the development of the technique of single-crystal neutron diffraction and to its applications in chemical and biomacromolecular crystallography.  Established in 2010 and presented triennially, this award will recognize exceptional research achievement in neutron diffraction.  The first award was given in 2013. 
 

3.1.1 Structure in Cancer Biology II

Tuesday, 7/23/2019 @ 9:00 AM | NKCC

Supporting SIGS: BioMac, Canadian Div.

 
Structure in cancer biology is an ever-burgeoning area of research as new drug targets and cancer mutants are being discovered and evaluated. We welcome contributions concerning mechanisms in DNA repair, metabolic signaling, protein quality control, cancer immunotherapy, cell signaling, or anything else as it relates to cancer, all with an element of structure. 
 

3.1.2 Time Resolved Macromolecular Structure Determination at X-ray Free Electron Lasers

Tuesday, 7/23/2019 @ 9:00 AM | NKCC

Supporting SIGS: Light Sources, BioMac

X-ray free electron lasers (XFELs) provide intense, femtosecond X-ray pulses that are exquisitely well qualified to follow bio-macromolecular reactions on all time-scales from femtoseconds to seconds. Time-resolved serial femtosecond crystallography (TR-SFX) minimizes radiation damage and allows an unperturbed view on the progress on the reaction in real time. This session will provide an overview over newest developments in the field.

 

CHAIRS: Marius Schmidt  
  Christopher Kupitz  
 
 

3.1.3 Structural Biology Combining Solution SAS and High Resolution Methods (cryoEM, MX, NMR)

Tuesday, 7/23/2019 @ 9:00 AM | NKCC

Supporting SIGS: Small Angle Scattering, BioMac

 
Solution SAS is highly complementary to all of the high resolution structural techniques. Among other things, SAS data can be used to verify conclusions drawn from high resolution structures, provide insight into complex formation and oligomerization under near physiological conditions, and inform on flexible or intrinsically disordered regions that are challenging for the high resolution techniques. SAS can also be used as additional information to improve structural solutions for cryoEM, MX, and NMR. This session will focus on combining SAS with these high resolution techniques to provide information or structural insight unobtainable by the high resolution techniques alone.
 
CHAIRS: Jesse Hopkins
  Nigel Kirby
 
 

3.1.4 Solid State Supramolecular Chemistry and Crystal Engineering  Part I

Tuesday, 7/23/2019 @ 9:00 AM | NKCC

Supporting SIGS: Small Molecule, YSIG

Presented with Support from:

 
This full-day session will provide a platform to share and discuss recent advances and developments in crystal engineering and supramolecular chemistry. Research in these areas leads to understanding how molecules interact in the solid state and how they assemble to form crystalline solids. The development of strategies to direct the organization of molecules within the crystal makes it possible to control physical and chemical properties of the solids. Contributions highlighting various aspects of this research are welcomed, including studies on organic, inorganic and metal-organic compounds, single and multi-component systems, metal organic frameworks and coordination polymers, as well as crystal structure prediction and computational analysis. Contributions from young scientists are especially encouraged.
 

3.1.5 Functional Sustainable Materials

Tuesday, 7/23/2019 @ 9:00 AM | NKCC

Supporting SIGS: Materials, Neutron, Powder Diffraction

 
The discovery and development of functional materials forms the basis of much technological innovation, but moving forward it is equally important to consider the sustainability of materials. This may involve changes to the life cycle of materials such as recovery or reuse, or the use of more green chemical approaches and consideration of the supply chain. This session covers a variety of functional materials, such as batteries, magnets, catalysts, adsorbents, and more, and are focused to meet current and imminent needs. Neutron and X-ray scattering are typically a key probe for understanding of structure-property relationships, and for understanding the life cycle as materials may evolve upon use. Recent progress in functional materials will be highlighted, with a consideration of the context of this work on sustainability.
 

WK5B Cryo-EM Workshop II : Reconstruction

Tuesday, 7/23/2019 @ 1:30 PM | NKCC

 

Cryo-EM is rapidly becoming the method of choice for structure determination of proteins larger than ~100 kDa, including membrane proteins, large assemblies and multi-protein complexes. Cryo-EM instrumentation is being installed in many universities, and is also available at large multiuser facilities both in the U.S. and worldwide. This workshop, which will be held on two consecutive afternoons during the ACA 2019 main meeting, will introduce scientists with crystallographic backgrounds to procedures used Cryo-EM.


Lectures will focus on the steps involved in producing a Cryo-EM map, from specimen preparation and data collection through to image processing and reconstruction. Aspects of workshop will be hands-on: state-the-art programs will be used by the students to process sample datasets.


This workshop will benefit those who want to use Cryo-EM in the future, or who have recently transitioned into it. We will strive to include up-to-date discussions of cutting-edge methods and technology.

 

3.2.1 Application of Anomalous Techniques in Macromolecular Crystallography

Tuesday, 7/23/2019 @ 1:30 PM | NKCC

Supporting SIGS: Light Sources, BioMac

Presented with Support from:

 
Anomalous diffraction is the basis for experimental phasing by MAD and SAD techniques. Its most successful application is based on labelling proteins with selenium, but more recently long-wavelength crystallography for native phasing using the intrinsic signal from sulfur is becoming popular and more and more structures are being solved by native SAD phasing. Additionally, anomalous contrast can be used to determine the positions of specific elements by tuning the wavelength above and below their absorption edges. This can assist with sequence alignment in low resolution data by locating the sulfur positions in methionine and cysteine residues, but also to identify elements. In particular, the long-wavelength range now accessible at several beamlines, opens new opportunities to identify and locate lighter atoms of biological relevance, such as calcium, potassium, chlorine, sulfur and phosphorus. This is complementary to electron microscopy, where no such elemental contrast is available in electrostatic potential maps.
 
CHAIRS: Toshiya Senda    
  Armin Wagner   
 
 

3.2.2 SAS Contrast Methods in Biology and Soft Matter

Tuesday, 7/23/2019 @ 1:30 PM | NKCC

Supporting SIGS: SAS, Neutrons, Materials

Presented with Support from:

      

Structural complexity in soft molecular materials and biosciences requires advanced characterization methods that allow tuning of contrast to highlight specific structural details. This session focuses on recent advancements in contrast modulation with neutron and X-ray small angle scattering (SANS/SAXS). The aim is to bring together very diverse approaches to contrast modification by chemical and biological isotope labeling for neutrons and by tuning energies of soft, tender, and hard X-rays. The session will reflect the state of the art in these techniques and provide an outlook for potential synergistic combination of these probes. Presentations that focus on building a more integrated set of contrast variation tools for the user communities of neutron and synchrotron X-ray user facilities are especially welcome to this session.
 
CHAIRS: Volker Urban
  Kushol Gupta
 
 

3.2.3 Home-Built Software and Hardware

Tuesday, 7/23/2019 @ 1:30 PM | NKCC

Supporting SIGS: Service

 
The long history of home-built software and hardware has seen small and large applications from the simplest routines -- format-conversion software, for example, to link the output of one specialized program to the input of another -- to extensive efforts, including widely distributed programs for a more complete set of crystallographic calculations. Home-built hardware may be less famous on the whole, but a wide array of gadgets of varying degrees of sophistication have been made or adapted in the crystallographic laboratory. The evolving niche of home-built software and hardware is the topic of this half-day session. Contributions are invited from all who make or adapt software or hardware and those who re-purpose existing devices or algorithms for crystallographic use. Contributions of a historical nature are also welcome.
 
CHAIRS: Victor Young
  Larry Falvello
 
 

3.2.4 Solid State Supramolecular Chemistry and Crystal Engineering  Part II

Tuesday, 7/23/2019 @ 1:30 PM | NKCC

Supporting SIGS: Small Molecule, YSIG

Presented with Support from:

     

 
This full-day session will provide a platform to share and discuss recent advances and developments in crystal engineering and supramolecular chemistry. Research in these areas leads to understanding how molecules interact in the solid state and how they assemble to form crystalline solids. The development of strategies to direct the organization of molecules within the crystal makes it possible to control physical and chemical properties of the solids. Contributions highlighting various aspects of this research are welcomed, including studies on organic, inorganic and metal-organic compounds, single and multi-component systems, metal organic frameworks and coordination polymers, as well as crystal structure prediction and computational analysis. Contributions from young scientists are especially encouraged.
 

PS3 Poster Session #3

Tuesday, 7/23/2019 @ 5:30 PM | NKCC

The ACA holds three evening poster sessions. Poster sessions are organized by the Poster Chairs and feature presentations covering a range of crystallography topics. Poster presentations may not seem as prominent as oral presentations, but they offer a terrific opportunity to interact with other scientists in your field in a structured way.  

 

CHAIRS: Louise Dawe
  David Rose

 

 

3.3.1 Would You Publish This?

Tuesday, 7/23/2019 @ 7:30 PM | NKCC

Supporting SIGS: Service, Small Molecule

 
When is a structure too poor to publish? How much should scientific impact affect this decision? What are some recommended procedures for publishing poor quality structures? What compromises are involved in the publication of "low quality" structures? If you have ever asked yourself these questions, then share your insights, structures and problems with the small molecule community. Talks in this session will be restricted to approximately 5 minutes in order to encourage audience participation and discussion. All talks will be selected from submitted abstracts. Those who submit abstracts to this session may still submit a second abstract to other sessions at no additional fee. 
 

AMBM All Members Business Meeting

Tuesday, 7/23/2019 @ 5:00 PM | NKCC

 
 

PL4 Margaret C. Etter Early Career Award: Efrain Rodriguez

Wednesday, 7/24/2019 @ 8:00 AM | NKCC

 
To recognize outstanding achievement and exceptional potential in crystallographic research demonstrated by a scientist at an early stage of their independent career. The award is established to honor the memory of Professor Margaret C. Etter (1943-1992), who was a major contributor to the field of organic solid-state chemistry. Her work particularly emphasized the use of hydrogen bonds and co-crystals. In addition to a large body of experimental work she was the major force in devising a set of rules known as graph sets to describe hydrogen bonds in a way that revealed similarities between structures without being tied up in the crystallographic details. Her experience teaching at an undergraduate institution and in working in both an industrial and academic setting gave her an unusually broad perspective from which to mentor students and to support and encourage colleagues. She had a love for people, for science, and especially for people who do science, that we honor. Established in 2002 as an annual award. The winner will present a lecture at the American Crystallographic Association Annual Meeting.
 
Scientists involved in crystallographic research in the broadest sense will be eligible for the award. At the time of the closing date for nominations, nominees must be no more than 12 years beyond the awarding of their Ph.D. degree, not including career breaks, and must have begun their first independent (not postdoctoral) position within the past 10 years. Nominees employed in tenure-track academic positions must not yet have received tenure. Nominations must include as a minimum a nomination letter clearly indicating the accomplishments of the individual since beginning their independent career and assessing the future potential of the nominee. Additional supporting letters and a c.v. for the nominee may be provided but are not requirements. Self-nominations are permitted. Nominees may be employed in regular academic positions, as service crystallographers, in industrial positions or in government laboratory positions.
 

4.1.1 Central Dogma in 3D: the Legacy of Tom Steitz

Wednesday, 7/24/2019 @ 9:00 AM | NKCC

Supporting SIGS: BioMac

 
Thomas Steitz’s multi-decade research program demonstrated the awesome power of structural biology in understanding the central dogma of molecular biology.  Speakers will present current work inspired by their training with Dr. Steitz.
 

4.1.2 Radiation Damage in X-ray Crystallography and Cryo-EM

Wednesday, 7/24/2019 @ 9:00 AM | NKCC

Supporting SIGS: Light Sources, Cryo-EM, BPDAA, BioMac

 
Radiation damage is a fundamental barrier in X-ray crystallography and in cryo-EM, because in both fields the success of obtaining structural models from experimental observations strongly depends on the signal-to-noise ratio (SNR) in the measured data and for many systems, the minimally required SNR cannot be achieved before the limiting radiation dose is reached. However, radiation damage does not always cause the loss of information. In combination with other techniques, radiation-induced reactions can be used to analyze physical and chemical properties of studied systems, e.g. by mapping the accessibility of their surfaces to radicals or by assessing patterns of fragmentation upon exposure. 
 

4.1.3 Cool Structures: Important Science from Small Molecule Crystallography

Wednesday, 7/24/2019 @ 9:00 AM | NKCC

Supporting SIGS: Small Molecule, Service Crystallography, Canadian Div. 

 
This session aims to highlight interesting structures of small molecules (<100 atoms per molecule) and bring to the foreground the science enabled by small-molecule structure analysis. Speakers will be selected from contributed abstracts. Submissions from students are welcome.
 
CHAIRS: Karah Knope
  Louise Dawe
 
 

4.1.4 In situ and Operando Characterization of Functional Films

Wednesday, 7/24/2019 @ 9:00 AM | NKCC

Supporting SIGS: Neutron, Materials, Powder, Small Angle Scattering

 
The optimization of functional devices often requires the precise structural characterization of interfaces and thin films. Small- and wide-angle x-ray scattering in grazing-incidence geometry are well established techniques for probing the structure of thin films in many technological applications such as photovoltaics, energy storage, organic electronics and nanopatterning. This session will discuss frontier applications of these techniques with an emphasis on in situ and operando studies as well as recent developments using high energy x-rays, pair distribution function (PDF) analysis, and innovative sample environments. Submission from all areas of physics, chemistry, materials science and engineering are welcome.
 
CHAIRS: Joe Strzalka
  Uta Ruett
 
 

4.1.5 Diversity & Inclusion -- Diverse Teams Perform Better

Wednesday, 7/24/2019 @ 9:00 AM | NKCC

Supporting SIGS: Industrial, YSIG

 

Empirical evidence reveals that diversity—both visible (eg race) and invisible (eg veteran status) -- has material benefits for teams and organizations. In a McKinsey analysis, “companies in the top 25th percentile for gender diversity on their executive teams were 15% more likely to experience above-average profits. The latest data shows that likelihood has grown to 21%. … Companies in the top quartile for racial and ethnic diversity are 35 percent more likely to have financial returns above their respective national industry medians.” Another study (Zhao et al, FM, 2017) showed that companies that promote a diverse workforce and a culture of inclusion, specifically attracting and retaining minorities, women, the disabled and LGBTQ employees, were more efficient in generating new products and patents.


Content for this session will include concepts and terminology. It seeks to inform and develop the skills of anyone interested in recruiting and retaining a diverse slate of students, educators, researchers, and/or industry professionals for enhanced innovation and performance.

 

4.1.6 General Interest lI

Wednesday, 7/24/2019 @ 9:00 AM | NKCC

Supporting SIGS: General Interest, YSIG

 
General Interest sessions are the forum for topics of broad interest to the crystallographic community or for presentations that do not fit the specific theme of other sessions. All presentations are selected from submitted abstracts.
 

4.2.1 What is the Meaning of Resolution?

Wednesday, 7/24/2019 @ 1:30 PM | NKCC

Supporting SIGS: CryoEM, BioMac, BPDAA

 
Resolution limit is one of the most commonly used proxies for assessing result quality, both in X-ray crystallography and also cryo-EM. However, the concept of a single-number resolution limit begins to break down in the presence of anisotropic diffraction for X-ray crystallography, while in cryo-EM, resolution is often considered to be variable within a structural model. In addition, in both fields there is a weak consensus between what criteria define or should be used to define the resolution limit. This session will bring together specialists in both fields to present the current state of discourse and the different approaches for defining resolution, including well-recognized as well as more obscure deficiencies.
 

4.2.2 Structure Based Drug Design

Wednesday, 7/24/2019 @ 1:30 PM | NKCC

Supporting SIGS: Industrial

 
Discovery of new medicines has greatly improved human health, and the use of three-dimensional structures has a proven impact both on finding new leads through fragment-based approaches, and on the speed at which Structure-Activity Relationships can be progressed. The session is dedicated to recent examples in Structure-Based Drug Design illustrating how the technique has been successfully applied in practical cases, and to the latest advances in methodology, such as cryoEM or recent developments in software analysis
 

4.2.3 Cool Structures: Important Science from Small Molecule Crystallography

Wednesday, 7/24/2019 @ 1:30 PM | NKCC

Supporting SIGS: Small Molecule, Service Crystallography, Canadian Div. 

 
This session aims to highlight interesting structures of small molecules (<100 atoms per molecule) and bring to the foreground the science enabled by small-molecule structure analysis. Speakers will be selected from contributed abstracts. Submissions from students are welcome.
 
CHAIRS: Jeffrey Bacon
  Stacey Smith
 
 

4.2.4 In situ and Operando Measurements

Wednesday, 7/24/2019 @ 1:30 PM | NKCC

Supporting SIGS: Materials, Neutron, Powder

 
Operando and in situ techniques are often used in nowadays research in energy storage catalysis, magnetic materials, novel material synthesis, solid state physics, and many other areas investigating structural dynamics and structure-property relations. Dynamic structural changes under controlled variation of one or multiple environmental parameters provide insight into the studied material properties. This session welcomes abstracts in any research field that involves using in situ or operando scattering or spectroscopic methods to probe material structures or reaction processes at the atomic level. Abstracts in novel in situ instrument design and applications are particularly welcome.
 
CHAIRS: Andrey A. Yakovenko
 
 

4.2.5 Sustaining Crystallography Education and Training

Wednesday, 7/24/2019 @ 1:30 PM | NKCC

Supporting SIGS: General Interest, Service Crystallography

 
This session will focus on strategies and pedagogies for engaging students in education and training in chemical crystallography and activities that lead to greater interest in, and higher level commitment to, the science of molecular structure determination by crystallography. All presentations are selected from submitted abstracts.
 
CHAIRS: Joe Tanski
  Brian Toby
 
 

BAN Banquet

Wednesday, 7/24/2019 @ 6:30 PM | OFFSITE

While traditionally held onsite, in 2019 the ACA closing banquet will be held offsite on Wednesday, July 24, 2018, in the evening.  Join us, just a short walk from the hotels, on the Belle of Cincinnati for a final banquet dinner reception (buffet), cash bar, and networking with fellow attendees.  The banquet is included in registration but you must indicate that you will attend.   
 

PLN2020 2020 Planning Meeting

Thursday, 7/25/2019 @ 8:00 AM | Marriott

 
Join us to discussion workshops, sessions and topics for 2020 in San Diego!