Scientific Program
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SATURDAY MAY 28 Morning and Afternoon | |||
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WK.01
WK.02 |
Workshop on Symmetry-Mode Analysis Sheraton Hotel, Maurepas Room
DESCRIPTION The availability of reliable and user-friendly software tools has now made symmetry-mode analysis accessible to the general crystallographic community. Derived from group theory, symmetry-modes are an especially simple description of the degrees of freedom (e.g. displacive, occupational, magnetic) that arise when a crystalline solid undergoes a transition from high to low symmetry. Symmetry modes are the degrees of freedom that "nature" uses in deciding how to distort a parent structure. Those who attend the workshop will learn how to (1) generate and visually explore the symmetry modes responsible for a distortion, (2) decompose a known structure into symmetry-mode amplitudes, (3) directly refine a symmetry-mode model against diffraction data, and (4) even solve a distorted structure by taking advantage of the unique properties of the symmetry-mode basis. The proposed full-day workshop will provide a hands-on introduction to the ISODISTORT and AMPLIMODES software packages, and their interfaces to commonly used Rietveld refinement packages like TOPAS and FULLPROF. The examples presented will be from complex oxides and other inorganic compounds, though the methods presented can be extended to molecular and macromolecular materials. Towards the end of the day, we will present new symmetry-mode analysis tools for magnetic structures and modulated structures. The workshop will be helpful to both new and experienced users -- anyone who wants to advance their level of understanding
ORGANIZERS Branton J. Campbell (Brigham Young University, USA) J. Manuel Perez-Mato (University of the Basque Country, Spain) Harold T. Stokes (Brigham Young University, USA) John S. O. Evans (University of Durham, UK) Juan Rodriguez Carvajal (Institute Laue Langevin, France)
WORKSHOP SCHEDULE 8:20-8:30 Welcome (B. Campbell) 8:30-9:30 Introduction to symmetry-mode analysis (M. Perez-Mato) Distortions and their order parameters Basic concepts: symmetry modes and irreducible representations Distortion symmetry and isotropy subgroups (single-irrep distortion). Secondary modes. Hierarchy of irrep distortions Phases with several primary irrep distortions Parameterization of a mode decomposition: amplitudes and polarization vectors. Temperature evolution 9:30-10:00 Exploring structural distortions with ISODISTORT (B. Campbell and H. Stokes) Generate and visualize symmetry modes of a distortion Types of order parameters (displacive, strain, occupancy, magnetic) Filtered search tools for generating distortion models Database search - commensurate single-irrep distortions Search by supercell and space-group type Search by k-point/irrep/OPD Coupled order parameters Distortion output Distortion symmetry [space-group type, origin and basis] List of modes and amplitudes specific to distortion symmetry Examine each type of output (visual, CIF, domains, primaries, details, IRs) Incommensurate distortions 10:00-10:30 Coffee break 10:30-12:00 Exploring structural distortions with ISODISTORT (continued) 12:00-1:00 Lunch 1:00-2:30 Symmetry mode analysis with AMPLIMODES & FULLPROF (M. Perez-Mato) Hands-on examples/exercises of mode-decomposition. Example of symmetry-mode refinement using Fullprof. 2:30-3:00 Coffee Break 3:00-4:30 Symmetry-mode analysis with ISODISTORT & TOPAS (B. Campbell and H. Stokes) Examples/exercises of mode-decomposition. Symmetry-mode refinements using TOPAS. How to "solve" a distorted structure on the symmetry-mode basis. 4:30-5:00 Panel discussion
Introduction to PHENIX for Beginning to Advanced Crystallographers- Chair: PaulAdams (pdadams@lbl.gov) The purpose of the workshop is to train both beginning and advanced crystallographers in the use of the PHENIX software for macromolecular structure determination. The workshop will benefit the crystallographic community by making this software accessible to a broader group of crystallographers, by teaching crystallographers when and how to use the software properly, and by teaching crystallographers how to get the most out of the software and ultimately their data.
The workshop will consist of two overall parts. Through lectures the morning session will introduce PHENIX and the core algorithms that it uses. The afternoon session will be a group hands-on tutorial for beginning and intermediate users concurrent with individual tutorials for advanced users.
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 core automation in PHENIX will be presented along with the key algorithms used in structure solution by MIR/MAD/SAD, density modification and model-building. Next the PHENIX refinement system will be described with emphasis on the core algorithms used. Then the extensive validation available during and after structure determination with PHENIX will be described. Finally the attendees will learn how to use the PHENIX GUI to carry out all the methods used in PHENIX.
During the morning break the attendees that do not already have PHENIX will install PHENIX on their computers. This process takes about 5 minutes with Linux or Mac OSX operating systems. For users with Windows machines self-booting DVD's will be provided that contain the Ubuntu operating system and PHENIX pre-installed. These can be used directly to run PHENIX.
In the afternoon there will be three group tutorials. The first will focus on data analysis (twinning, space groups, structure factor statistics) and structure solution (finding an anomalous substructure in a MAD or SAD dataset, or molecular replacement). The second tutorial will focus on automated model-building and ligand fitting. The third will cover refinement and validation. Concurrent with the tutorials, advanced users will have individual tutorials on their own data.
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Saturday Evening |
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New Student Orientation - 6:30pm Our focus is to orient new 'young scientists' and first time attendees to the structure of the ACA Meeting and how to make the most of their experience.
Opening Reception & Exhibit Show - 7:30pm |
YSSIG
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SUNDAY, MAY 29 Morning | |||
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SP.01 |
Etter Award & Session -Yuri Mozharivskyj, 2011 Winner - 8:00am-8:50am Chair: Jamaine Davis (davijama@mail.nih.gov) |
YSSIG/GIG | |
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01.01 |
Use of Databases in Structural Biology Mining data in databases is the first step of every structural biology project. Presentations in this session should not only show the data mining capabilities of a system, but should also address the major bottleneck of modern science: how do we convert the large amounts of raw data produced by high-throughput experiments into information and knowledge? Chair: Wladek Minor (wladek@iwonka.med.virginia.edu) Invited speakers: Adam Godzik (Burnham) Steve Bryant (National Inst. Of Health) Helen Berman (Protein Data Bank) Howard Robinson (Brookhaven National Lab) Jack Johnson (Scripps)
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BioMac | |
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02.01 |
General Interest I This session is for all broad crystallography that does not "fit" within the areas covered by the individual SIG's. Chair: Peter Mueller (pmueller@MIT.EDU)
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GIG | |
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08.01 |
In situ Diffraction Studies The session will be focused on in-situ methods in materials science, and will include studies of small molecules and extended structures under variable environmental conditions, such as variable temperature, pressure, and gas atmospheres. Chair: Craig Bridges (bridgesca@ornl.gov) and Christine Beavers (cmbeavers@lbl.gov) Invited speakers: John Parise (SUNY- Stony Brook) Paul Raithby (Univ. of Bath, UK) Mario Bieringer (Univ. of Manitoba, Canada) |
Materials/Powder/Neutron, Small Mol
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Sunday Afternoon | |||
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- General Interest SIG Meeting at 12:00pm - Canadian Div. Meeting @ 12:00 pm |
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04.01 |
Surfaces and Interfaces Surface and interfacial structure, kinetics, and dynamics of soft matter and biomolecular materials using grazing-incidence x-ray scattering techniques (such as GISAXS, GIWAXS and GID), as well as developments in the related scattering theory and data analysis. Chair: Zhang Jiang (zjiang@aps.anl.gov) & Masafumi Fukuto (fukuto@bnl.gov) Invited speakers: David Vaknin (Ames Lab & Iowa State) vaknin@ameslab.gov Young-shin Jun (Washington U) ysjun@seas.wustl.edu Cheng Wang (LBL) cwang2@lbl.gov Lin Yang (BNL) lyang@bnl.gov
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SAS | |
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08.02 |
Structural Enzymology I: Spectroscopy and Complementary Methods Macromolecular crystal structures of ligand complexes or reactive intermediates provide valuable mechanistic insight, but for which the crystallographers often find themselves interpreting "mystery density" within the data. Thus, the talks and posters in this session are intended to highlight crystal structures and the use of techniques, including single-crystal spectroscopy, that provide strong correlation(s) to the proposed reaction mechanism. Chair: Allen Orville (amorv@bnl.gov) Invited speakers: John D. Lipscomb, (Univ. of Minnesota) "Structural, Spectroscopic and Kinetic Correlations in the Mechanism of Oxygen Activation by Fe(II) Dioxygenases" Karen N. Allen (Boston Univ.) "Stachydrine Demethylase, Crystallographic and Spectroscopic Analysis of a New Rieske Dioxygense"
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BioMac/Synch | |
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08.03 |
Crystallography and the Search for New Materials sponsored, in part, by Agilent Technologies, Bruker AXS, Inc., and Rigaku Americas Corp. The synthesis of new materials has always been a frontier area of the physical sciences as such compounds provide the objects of any further studies. Recognizing the importance of new structures and properties, the aim of this session will be to highlight the crystallographic challenges, often encountered over the course of structural characterization of novel materials with unknown structures. Chair: Svilen Bobev (sbobev@mail.chem.udel.edu) Invited speakers: Peter Khalifah (Stony Brook Univ.) Michael Lufaso (Univ. of Northern Florida) Robin Macaluso (Univ. of Northern Colorado) Daniel Fredrikson (Univ. of Wisconsin)
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Materials/Powder/Neutron | |
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08.04 |
Scholarly and Pragmatic Aspects of Crystallographic Publication Practices sponsored, in part, by Agilent Technologies, Bruker AXS, Inc., and International Union of Crystallography The session will have a dual focus. On the one hand, the discussion will address co-authorship policies, ethics issues, reviewer practices, and editorial experiences. On the other hand methodological aspects of preparing crystallographic results for publication in scientific literature will be covered. Chairs: Larry Falvello (falvello@unizar.es) & Ilia Guzei (iguzei@chem.wisc.edu)
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Small Mol/Service/GIG
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Sunday Evening | |||
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Poster Session I
Rayonix Young Scientist Mixer (ticket required)
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MONDAY, MAY 30 morning |
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SP.02 |
Plenary Lecture: Philip Coppens (Univ. of New York, Buffalo) - 8:00am-8: 50am
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01.02 |
Protein Structure Initiative: Tools for the Home Lab The NIGMS Protein Structure Initiative has developed a number of tools that can enhance the success rate of protein structure determination. This session will present some of these tools of interest for use in the home laboratory including those useful in protein expression, purification, crystallization and structure determination. Chair: Ward Smith (smithwar@nigms.nih.gov) Invited speakers: Robert M.
Stroud (UCSF) |
BioMac | |
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04.02 |
Small Angle Scattering from Colloids Small-angle scattering from colloids is a major area of research that touches on a myriad of fields from structural biology to nanoparticles and polymers. This session seeks to survey recent advances in scattering from colloidal systems with emphasis on the analytic description of these systems. Chair: Gregory Beaucage (beaucag@ucmail.uc.edu) & P. Russo (chruss@lsu.edu)
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SAS | |
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TR.01 |
Transactions I - Time Resolved and Charge Density - In Honor of Phil Coppens sponsored, in part, by Univ. of Chicago/CARS and Bruker AXS, Inc. The ability to follow the 3D structural dynamics of photochemical processes in real time will revolutionize our understanding of photochemistry. The advancement of instrumentation capabilities and new light source LCLS, an x-ray free electron Laser, provides us with new tools and techniques to conduct real time photochemistry research. It also opens up new scientific opportunities in structural dynamic studies. This session will review current and future research prospects, in honor of Professor Philip Coppens' vision and leadership in this pioneering research area. Chairs: Peter Lee (Peter.Lee@science.doe.gov) and Yu-Sheng Chen (yschen@cars.uchicago.edu)
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SmallMol, Synch, GIG
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08.07 |
Materials for a Sustainable Future I Sustainability is where society overlaps with the environment and the economy. With concerns over the future availability of fossil fuels and climate change Scientist and Engineers from all disciplines are focusing their research on materials for a sustainable future. Examples of areas where crystallographers are taking up the charge include Li-ion batteries for electric cars, new solar materials, thermoelectrics, and hydrogen storage materials. This session, along with Materials for a Sustainable Future II will provide an overview of crystallographic studies of materials used for battery, hydrogen storage, photovoltaic, thermoelectrics, and fuel cells to name a few. Chair: Ashfia Huq (huqa@ornl.gov) Co: Claudia Rawn (crawn@utk.edu) Invited speakers: Eliot Specht (ORNL) Tim Anderson (Univ. of Florida) A.J. Celestian (nuclear material separation using porous materials) Melanie Kirkham (ORNL)
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M/P/N | |
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Monday Afternoon | |||
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- SIG Meetings at 12:00 PM: Synchrotron Radiation |
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TR.01 |
Transactions II - Time Resolved and Charge Density - In Honor of Phil Coppens sponsored, in part, by Univ. of Chicago/CARS and Bruker AXS, Inc. Chair: Jason Benedict (jbb6@buffalo.edu)
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SmMol, Synch, GIG | |
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06.01 |
Undergrad Research Symposium This symposium showcases research conducted by undergraduates and which involves to a significant extent crystallographic methods or theory. Oral presentations will be judged, and the outstanding presentation will be honored at the ACA banquet with the AIP Presentation Prize. Chair: Katherine Kantardjiff (kantardjieff@csupomona.edu)
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Service | |
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08.06 |
Microcrystals and Back to Merging Datasets Experiments using multiple micro-crystals to obtain structural models become recently feasible due to development of detectors without readout noise and precise focusing of X-ray beam. The session will discuss theoretical and practical aspects of dealing with synchrotron experiments involving multiple small crystals with particular focus on data analysis problems. Chair: Dominika Borek (dominika@work.swmed.edu) & Alex Soares (soares@bnl.gov)
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BioMac, Synch | |
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08.07 |
Materials for a Sustainable Future II Chair: Ashfia Huq (huqa@ornl.gov) Co: Claudia Rawn (crawn@utk.edu) |
M/P/N | |
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Professional Odysseys Career Panel Lorena S. Beese, James B. Duke Professor of Biochemistry,
Duke University Andrew J.Howard, Associate Professor, Biological, Chemical, & Physical Sciences Department, Illinois Institute of Technology; Co-director, Masters in Health Physics program, IIT; Consulting crystallographer, SER-CAT
Christopher Incarvito, Director, chemical and biophysical
instrument
- SIG Meetings: Bio Mac 5:00 PM, Fiber Diffraction 6:00 pm |
YSSIG | |
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Monday Evening | |||
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Poster Session II
Mentoring Dinner (ticket required)
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TUESDAY, MAY 31 Morning | |||
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SP.03 |
Warren Award to Keith Moffat - 8:00am-8:50am
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01.03 |
Structural Enzymology II Mechanistic A detailed description of an enzyme mechanism must include an atomic model that can account for substrate binding, transition state stabilization, and the chemical steps involved with the making or breaking of bonds. To be accurate, the model must be supported by biochemical data or kinetics for the relevant reaction steps. This session will focus on structures that support new mechanisms, resolve conflicting models, or do not agree with existing kinetic or structural data. Talks are 15-20 minutes long and the majority will be selected from contributed abstracts. Chair: Zachary Wood (zac@bmb.uga.edu)
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BioMac | |
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05.01 |
Cool Structures The theme of the session is anything that a researcher thinks might be interesting crystallographically, particularly structurally. The talks are generally 15-20 minutes, with only contributed abstracts taken. There are no invited speakers for this session. Chair: Allen Oliver (aoliver2@nd.edu)
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SmMol | |
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07.01 |
Fast Science With the advent of short-pulsed X-ray sources such as the Linac Coherent Light Source, new possibilities to study fast structural and electronic changes in molecular systems on femtosecond timescales has been realized. This in addition to storage-ring-based single-pulse X-ray techniques enable time-resolved studies on a broad range of materials in solid, liquid and gas phases. This session will focus on fast dynamical studies of molecular systems with timescales ranging from nanoseconds to femtoseconds. Chair: Tim Graber (graber@cars.uchicago.edu) and Marco Cammarata (marcoc@slac.stanford.edu) Invited speakers: Shin-ichi Adachi (KEK, Japan) Hyotcherl (Harry) Ihee (KAIST, South Korea) Marco Cammarata (LCLS and SLAC) William Royer (Univ. of Massachusetts, Worcester) Marius Schmidt (Univ. of Wisconsin, Milwaukee)
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Synch | |
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08.08 |
The Devil is in the Details: Local Structure and Diffuse Scattering Material properties inevitably derive from the underlying atomic structure. However, many fascinating behaviors cannot be understood from the idealized structure alone. Instead, how the structure deviates from perfection (i.e. the ideal crystal structure) is often key to its functional properties. This session will focus on application of local structural probes to advanced functional materials. Chair: Karena Chapman (chapmank@aps.anl.gov)
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M/P/N | |
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Tuesday Afternoon | |||
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- SIG Meetings at 12:00 pm: Young Scientist , Joint Service & SmMolecule
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07.02 |
Maximizing the Scientific Results of your Synchrotron Visit This session will focus on the strategies for optimizing the success of a synchrotron visit with discussions on detectors, beam sizes, radiation damage, etc. Chair: Steve Ginell (Ginell@anl.gov)
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Synch | |
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08.09 |
Structural Enzymology III- Biology This session will focus on structures that give insight into mechanisms of bacterial pathogenesis and antibiotic resistance. Chair: Michael Murphy (michael.murphy@ubc.ca)
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BioMac, Can Division | |
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08.10 |
Educational Inspiration: Crystallographic Teaching Techniques This session will focus on the educational techniques we use to inspire our students to pursue crystallographic research. Topics will include novel lecture modules, laboratory exercises, and other teaching aids we employ in our interactions with students. Chair: Amy Sarjeant (asarjeant@northwestern.edu)
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GIG/Service | |
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08.11 |
Diffraction Studies of Industrial Materials The session Diffraction Studies of Industrial Materials will present recent progress in applying the state-of-the-art diffraction techniques, including various synchrotron and neutron techniques, to industrial-relevant materials. This session is intended to demonstrate how diffraction techniques can help industry to better characterize materials with respect to crystal structure, strain/stress, texture, in real time and environment. Chair: Yan Gao (gaoy@ge.com), co-chair Bryan Chakoumakis (chakoumakobc@ornl.gov) Invited speakers: Jon Almer (Advanced Photon Source, ANL) Xun-Li Wang (Spallation Neutron Source, ORNL) Zhong Zhong (NSLS, Brookhaven) Jean Jordan-Sweet (IBM/NSLS, Brookhaven)
- ACA Member's Business Meeting 5:00 PM |
M/P/N, Industrial | |
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Tuesday Evening | |||
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Poster Session III
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06.02 |
Would You Publish This? sponsored, in part, by Agilent Technologies An interactive session to address how members of the small molecule community handle structures of moderate or poor quality and limited scientific interest. Chair: Carla Slebodnick (slebod@vt.edu)
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Service | |
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Panel Discussion: Industrial access to national user facilities Confirmed participants: Dean
Myles (SNS/ORNL)
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WEDNESDAY, JUNE 1 Morning | |||
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SP.04 |
Fankuchen Award to David Watkin - 8:00am - 8:50am
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01.04 |
Membrane Protein Crystallization Chair: Michael Wiener (mdp3w@virginia.edu)
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BioMac | |
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04.03 |
Information in SAXS/WAXS Data This session will highlight recent scattering theory and software developments in interpreting solution SAXS/WAXS data. Chair: Hiro Tsuruta (tsuruta@slac.stanford.edu) & Lee Makowski (makowski@ece.neu.edu ) Invited speakers: Richard
Kirian (Arizona State Univ.) Philip
Anfinrud (NIH )
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SAS | |
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05.02 |
Modern Aspects of Crystal Engineering I This symposium will focus upon the field of crystal engineering with a focus that ranges from structure to applications, including but not limited to crystal structure prediction, reactivity, pharmaceutics, porosity, semiconductors, and related properties. Chair: Travis Holman (kth7@georgetown.edu) Invited speakers: Kenneth Harris (Univ. of Cardiff; field of interest: organic inclusion compounds, PXRD) George Shimizu (Univ. of Calgary; field of interest: metal-organic materials) Graeme Day (Cambridge Univ.; field of interest: crystal structure prediction) Michael D. Ward (New York Univ.; field of interest: designer organic crystals) Praveen Thallapally (Pacific Northwest National Laboratory; field of interest: designer metal-organic frameworks) Linda Shimizu (Univ. South Carolina; porous organic crystals) Radu Custelcean (Oak Ridge National Laboratory; crystalline materials for environmental and energy applications)
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SmallMol | |
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08.13 |
Evolution of Powder Diffraction Software: In Honor of Lachlan Cranswick While the experiments are conceptually simple, wringing the greatest amount of information from a powder diffraction pattern (x-ray or neutron) is a challenging problem, heavily dependent on computer software. Likewise, education and training in data analysis in modern powder diffraction are important aspects of the professional development of workers in many fields of science and technology. The untimely death of Lachlan Cranswick motivates us to consider his significant contributions to the community, and to assemble a session of talks on recent developments and outlooks for the future of powder diffraction software and education. Chair: Peter Stephens (peter.stephens@sunysb.edu) Invited speakers: Brian Toby (Argonne National Lab) Simon Billinge (Columbia Univ.)
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M/P/N & Can Div | |
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Wednesday Afternoon | |||
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- SIG Meetings at 12:00 PM: Industrial, Small Angle Scattering, Joints Materials /Powder/ Neutron
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03.01 |
Challenges and Opportunities in Structure Based Drug Discovery Speakers drawn from the pharmaceutical and biotechnology industry and academe will present case studies of the impact of X-ray crystallography on small molecule drug discovery, with particular emphasis on fragment based approaches. Chair: Nickolay Chirgadze (nchirgad@uhnresearch.ca)
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Industrial | |
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05.02 |
Modern Aspects of Crystal Engineering I This symposium will focus upon the field of crystal engineering with a focus that ranges from structure to applications, including but not limited to crystal structure prediction, reactivity, pharmaceutics, porosity, semiconductors, and related properties. Chair: Len MacGillavry (len-macgillivray@uiowa.edu)
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SmallMol | |
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08.12 |
Macromolecular Assemblies sponsored, in part, by Area Detector Systems Corp. and Rigaku This session will feature multisubunit complexes that function in important biological pathways, including crystallographic insights to subunit assembly and conformational changes. Chair: Chris Hill (chris@biochem.utah.edu) Invited Speakers: Brenda A. Schulman, St. Jude Children's Research Hospital, H. Hughes Medical Inst. Owen Wilbert Pornillos, Univ. of Virginia Song Tan, Pennsylvania State Univ.
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BioMac, Can Div | |
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08.14 |
Diffraction Studies of Magnetic Materials The session will focus on magnetism in correlated electron systems where the determination of the magnetic properties plays an important role in understanding microscopic mechanisms and phenomena relating to the material's complex bulk properties. These materials include (but not limited to) multiferroics, geometrically frustrated magnets, molecular magnets, magnetocaloric materials and high temperature superconductors. Chair: Clarina De La Cruz (delacruzcr@ornl.gov) Invited speakers: Jeffrey Lynn(NIST-NCNR) Mark Green (NIST- NCNR and Georgetown U.) Feng Ye (SNS-ORNL) Jonathan White (Laboratory for Neutron Scattering, Paul Scherrer Inst.)
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M/P/N | |
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Wednesday Evening | |||
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Association Business Meeting - All are welcome to hear about and discuss issues regarding the association - 5pm
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THURSDAY, JUNE 2 Morning | |||
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SP.05 |
Plenary - Ned Seeman, NYU - 8:00am-8:50am
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08.15 |
Data Processing with the Pros sponsored, in part, by DECTRIS, Ltd. and Rayonix Kay Diederichs, Wladek Minor, Jim Pflugrath and Harry Powell will each demonstrate their data processing software handling a different crystallographic data set of "typical difficulty". The goal is to provide a "hands on" tutorial for novice and intermediate crystallographers including advance access to software/data to try on their own as well as opportunities to interact directly with program authors. Chairs: Ed Collins (edward_collins@med.unc.edu) & Andy Torelli (att29@cornell.edu)
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BioMac/YSSIG | |
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08.16 |
Earth Materials Crystallographic studies of "Earth materials" address fundamental and applied issues as various as the nature of matter under high compression, mineral reactions associated with carbon sequestration and the integrity of nuclear waste forms. We hope to highlight the latest crystallographic research, identify emerging issues where crystallography is playing a key role, and present the technical advances that are pushing the field forward. Chairs: John Parise (jparise@notes.cc.sunysb.edu) & Ian Swainson (ipswainson@gmail.com)
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M/P/N | |
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08.17 |
Combined Techniques for Determining the Structure of Complexes and RNAs in Solution The session will focus on combining the use of various solution methods and techniques, including but not limited to small angle X-ray scattering and NMR spectroscopy with X-ray crystallography, to study challenging multi-component biological systems and RNAs. The structures of these biomacromolecular systems are key to understanding biological interactions but extremely difficult to study by any single method alone. Chair: Yun-Xing Wang (wangyunx@mail.nih.gov) Co: John Tainer (jat@scripps.edu).
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SAS/Synch | |
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08.18 |
Small Molecule Molecular Machines sponsored, in part, by Yale University This session will focus on the synthesis and characterization of small-molecule (i.e. synthetic) molecular machines and novel architectures. Examples of molecular switches, motors, and sensors, as well as rotaxanes and catenanes will be presented with an emphasis on the structure-function relationships. Chair: Christopher Incarvito (chris.incarvito@yale.edu) Invited speakers: Miguel Garcia-Garibay (UCLA) Jeremiah Gassensmith (Northwestern Univ.)
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Small Mol/Service | |
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Thursday Afternoon | |||
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02.01 |
General Interest II Chairs: Peter Mueller (pmueller@MIT.EDU) & Allen Oliver (aoliver2@nd.edu)
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GIG | |
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08.19 |
Phasing and Refinement for Dummies: No Book Required Pavel Afonine, Gerard Bricogne, Axel Brunger (tentative), Garib Murshudov and George Sheldrick will demonstrate their crystallographic phasing/refinement software tackling a data set representing common challenges including low resolution data, weak phases or pathologies such as twinning. The goal is to follow the "hands on" model of the Data Processing morning session and to carry on the processed data sets to structure solution Chairs: Ed Collins (edward_collins@med.unc.edu) & Andy Torelli (att29@cornell.edu)
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BioMac/YSSIG | |
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08.21 |
New Bio-Science from Emerging Opportunities and Sources Emerging sources, such as the Linear Coherent Light Source at Stanford and the Spallation Neutron Source at Oak Ridge Nat'l Lab, provide new capabilities for both the physical and life sciences. The LCLS delivers ultra-bright, ultra-fast, and coherent pulses of light. This will provide unprecedented time resolution for dynamic events, and will combat X-ray damage, especially to biological samples. The SNS provides unprecedented intensity of pulsed neutrons. For life science, the neutron is a unique probe of the hydrogen atom in biochemistry.
Although there are few results from either source, this session will explore recent results from any source that foreshadow the biological future of neutron and x-ray science. Chair: Bob Sweet (sweet@bnl.gov). Confirmed speakers with approximate titles: Petra Fromme (Arizona State University, Phoenix, AZ) Diffraction studies at the LCLS on nano-crystals of Photosystem-I, Lee Makowski (Northeastern University, Boston, MA) Determining the morphology of nano-crystals of cellulose in natural fibers, from coherent speckle of Bragg reflections at the APS, Julian Chen (Goethe Univ., Frankfurt, Germany) Neutron and X-ray Crystallography: Pushing the Limits at LANSCE AND APS.
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Synch/SAS | |
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Rayonix, Inc.
Crystallographic Resources Inc. 
Gulf Coast Protein Crystallography Consortia
P212121