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Diffraction Methods in Structural Biology
Gordon Research Conference

Probing the Structure and Dynamics of Macromolecules

Dates

July 17-22, 2016

Location

Bates College
Lewiston, ME

Organizers

Chair:
Edward Snell

Vice Chair:
Arwen R. Pearson

Meeting Description

The 2016 diffraction methods conference will have as its focus both structure and dynamics. While these represent two areas, when combined, the result is often a profound understanding of biological processes. The conference will open with talks that describe both methodologies used to extract dynamical information and the importance of this information in biological processes. The diffraction field has been advancing rapidly and part of that influence has been the development of new X-ray free electron laser sources. The conference will continue with these strongly represented in several sessions covering new opportunities, the interplay between synchrotron methods, and their role in dynamically resolved studies. This year we will also have sessions on improving models and maps with a discussion of total scattering and the best use of hybrid data approaches. A selection of posters presented at the meeting will be included as talks. The diffraction methods conference has a strong focus on methodology and is attended by many of the developers in the field. As such it represents a unique opportunity for graduate and post-doctoral students to make contacts, resolve questions that will considerably enhance their research, and interact in an informal and intellectually stimulating setting. All are welcome and encouraged to apply.

Related Meeting

This GRC was held in conjunction with the "Diffraction Methods in Structural Biology" Gordon Research Seminar (GRS). Refer to the associated GRS program page for more information.

Contributors

Final Meeting Program

Sunday
2:00 pm - 9:00 pmArrival and Check-in
6:00 pmDinner
7:30 pm - 7:40 pmWelcome / Introductory Comments by GRC Site Staff
7:40 pm - 9:30 pmKeynote Session: Structure and Dynamics
Discussion Leader: Elspeth Garman (University of Oxford, United Kingdom)
7:40 pm - 7:45 pmOpening Remarks
7:45 pm - 7:50 pmIntroduction by Discussion Leader
7:50 pm - 8:30 pmCarrie Wilmot (University of Minnesota, USA)
"MauG Catalysis: A Tale of Ferryl Heme, Radicals and Long-Distance Hopping"
8:30 pm - 8:40 pmDiscussion
8:40 pm - 9:20 pmJoseph Ferrara (Rigaku Americas Corporation, USA)
"Forty Years of Diffraction Methods - A Personal Narrative"
9:20 pm - 9:30 pmDiscussion
Monday
7:30 am - 8:30 amBreakfast
8:30 amGroup Photo
9:00 am - 12:30 pmNew Instruments and Opportunities
Discussion Leader: Robert Sweet (National Synchrotron Light Source II, Brookhaven National Laboratory, USA)
9:00 am - 9:05 amIntroduction by Discussion Leader
9:05 am - 9:30 amArmin Wagner (Diamond Light Source, United Kingdom)
"In-Vacuum Long-Wavelength Crystallography – First Results"
9:30 am - 9:40 amDiscussion
9:40 am - 10:05 amMatthew Bowler (Synchrotron Crystallography Team, European Molecular Biology Laboratory, France)
"Fully Automatic Characterisation and Data Collection: A New Tool for Structural Biologists"
10:05 am - 10:15 amDiscussion
10:15 am - 10:45 amCoffee Break
10:45 am - 11:10 amMarjolein Thunnissen (MAX IV Laboratory, Lund University, Sweden)
"Possibilities for Structural and Dynamical Studies on Proteins at MAX IV"
11:10 am - 11:20 amDiscussion
11:20 am - 11:45 amWilliam Graves (Arizona State University, USA)
"Electron Diffraction as a Method to Produce a Tabletop XFEL"
11:45 am - 11:55 amDiscussion
11:55 am - 12:10 pmEmil Pai (University of Toronto, Canada)
"There Is Nothing Like High Resolution – Surprising Features in an Enzyme's Mechanism"
12:10 pm - 12:15 pmDiscussion
12:15 pm - 12:25 pmOliver Smart (PDBe, European Bioinformatics Institute, United Kingdom)
"PDB Structure Validation"
12:25 pm - 12:30 pmDiscussion
12:30 pmLunch
1:30 pm - 4:00 pmFree Time
4:00 pm - 6:00 pmPoster Session
6:00 pmDinner
7:30 pm - 9:30 pmImproving Maps and Models
Discussion Leader: Airlie McCoy (University of Cambridge, United Kingdom)
7:30 pm - 7:35 pmIntroduction by Discussion Leader
7:35 pm - 7:55 pmElspeth Garman (University of Oxford, United Kingdom)
"Unambiguous Metal Identification and Accurate Stoichiometric Measurements in Proteins"
7:55 pm - 8:00 pmDiscussion
8:00 pm - 8:25 pmFrank Von Delft (Structural Genomics Consortium, United Kingdom)
"PANDDA: A Multi-Dataset Method for Electron Density Signal Extraction of Superposed States such as Low-Occupancy Ligands"
8:25 pm - 8:30 pmDiscussion
8:30 pm - 8:55 pmJames Fraser (University of California, San Francisco, USA)
"Birth of the Cool: Multitemperature X-Ray Crystallography to Reveal Protein Conformational Heterogeneity"
8:55 pm - 9:00 pmDiscussion
9:00 pm - 9:25 pmPaul Adams (Lawrence Berkeley National Laboratory, USA)
"New Tools for Interpretation of Cryo-EM Maps"
9:25 pm - 9:30 pmDiscussion
Tuesday
7:30 am - 8:30 amBreakfast
9:00 am - 12:30 pmStructural Biology Requires Multiple Methods
Discussion Leader: Nozomi Ando (Princeton University, USA)
9:00 am - 9:05 amIntroduction by Discussion Leader
9:05 am - 9:30 amAllison Edwards (Bragg Institute, Australian Nuclear Science and Technology Organisation, Australia)
"Neutron Diffraction Studies – Making Best Use of the Available Data"
9:30 am - 9:40 amDiscussion
9:40 am - 10:05 amNeil Ranson (University of Leeds, United Kingdom)
"Experiences and Results Using the New Direct Electron Detectors for CryoEM"
10:05 am - 10:15 amDiscussion
10:15 am - 10:45 amCoffee Break
10:45 am - 11:10 amSaikrishnan Kayarat (Indian Institute of Science Education and Research, Pune, India)
"Mechanism of a Motor-Driven Endonuclease: Combining Structural and Single-Molecule Approaches"
11:10 am - 11:20 amDiscussion
11:20 am - 11:45 amNikolai Skrynnikov (Purdue University, USA)
"Motions of Protein Molecules Within the Crystalline Lattice"
11:45 am - 11:55 amDiscussion
11:55 am - 12:20 pmSarah Bowman (Massachusetts Institute of Technology, USA)
"What Can Spectroscopic Techniques Tell You About Your Crystal"
12:20 pm - 12:30 pmDiscussion
12:30 pmLunch
1:30 pm - 4:00 pmFree Time
4:00 pm - 6:00 pmPoster Session
6:00 pmDinner
7:30 pm - 9:30 pmDynamically Resolved Methods
Discussion Leader: Carrie Wilmot (University of Minnesota, USA)
7:30 pm - 7:35 pmIntroduction by Discussion Leader
7:35 pm - 8:00 pmThomas Barends (Max-Planck Institute for Medical Research, Germany)
"Ultrafast Functional Motions in Myoglobin Probed by Serial Femtosecond Crystallography"
8:00 pm - 8:05 pmDiscussion
8:05 pm - 8:30 pmGergely Katona (University of Gothenburg, Sweden)
"An Interleaved Data Recording Method for Studying the Non-Thermal Effect of Terahertz Radiation on Protein Crystals"
8:30 pm - 8:35 pmDiscussion
8:35 pm - 8:55 pmKanupriya Pande (Center for Free-Electron Laser Science, Germany)
"Femtosecond Structural Dynamics in Photoactive Yellow Protein"
8:55 pm - 9:00 pmDiscussion
9:00 pm - 9:25 pmPetra Fromme (Arizona State University, USA)
"Time-Resolved Femtosecond Crystallography: Towards Molecular Movies of Biomolecules 'In Action'"
9:25 pm - 9:30 pmDiscussion
Wednesday
7:30 am - 8:30 amBreakfast
9:00 am - 12:30 pmHybridization of Synchrotron and XFEL Approaches
Discussion Leader: Christine Gee (Howard Hughes Medical Institute / University of California, Berkeley, USA)
9:00 am - 9:05 amIntroduction by Discussion Leader
9:05 am - 9:30 amNadia Zatsepin (Arizona State University, USA)
"Making the Most out of XFELs"
9:30 am - 9:40 amDiscussion
9:40 am - 10:05 amManfred Burghammer (European Synchrotron Radiation Facility, France)
"Recent Developments in Serial Micro-/Nano-Beam Diffraction X-Ray Techniques at ID13, ESRF"
10:05 am - 10:15 amDiscussion
10:15 am - 10:45 amCoffee Break
10:45 am - 11:10 amHelen Ginn (University of Oxford, United Kingdom)
"Development of Methods in XFEL Analysis"
11:10 am - 11:20 amDiscussion
11:20 am - 11:45 amThomas White (Center for Free-Electron Laser Science, Germany)
"Advances in Data Processing for Serial Femtosecond Crystallography"
11:45 am - 11:55 amDiscussion
11:55 am - 12:20 pmAllen Orville (Diamond Light Source, United Kingdom)
"Dynamic Structural Biology: Awakened and Enabled by New Sources and Complementary Methods"
12:20 pm - 12:30 pmDiscussion
12:30 pmLunch
1:30 pm - 4:00 pmFree Time
4:00 pm - 6:00 pmPoster Session
6:00 pmDinner
7:00 pm - 7:30 pmBusiness Meeting
Nominations for the Next Vice Chair; Fill in Conference Evaluation Forms; Discuss Future Site and Scheduling Preferences; Election of the Next Vice Chair
7:30 pm - 9:30 pmDevelopments in Diffraction Methods
Discussion Leader: Clyde Smith (Stanford University, USA)
7:30 pm - 8:00 pmIsabel Uson (ICREA, Spanish National Research Council, Spain)
"Local Folds and Fragments in Phasing, Autotracing and Structure Interpretation"
8:00 pm - 8:10 pmDiscussion
8:10 pm - 8:40 pmKartik Ayyer (DESY, Germany)
"Coherent Diffractive Imaging as a Structure Determination Tool for Disordered Crystals"
8:40 pm - 8:50 pmDiscussion
8:50 pm - 9:20 pmAndrea Thorn (MRC Laboratory of Molecular Biology, United Kingdom)
"Developments in Diffraction Data Analysis"
9:20 pm - 9:30 pmDiscussion
Thursday
7:30 am - 8:30 amBreakfast
9:00 am - 12:30 pmSelected Poster Presentations: New Cool Methods and Hot New Structures
Discussion Leader: James Fraser (University of California, San Francisco, USA)
9:00 am - 9:05 amIntroduction by Discussion Leader
9:05 am - 9:20 amSelected from Poster Abstracts: Johan Hattne (Howard Hughes Medical Institute, USA)
"Recent Developments in MicroED"
9:20 am - 9:25 amDiscussion
9:25 am - 9:40 amSelected from Poster Abstracts: Bradley Hintze (Duke University, USA)
"Topal-Fresco DNA Base Pairs in the PDB and Lessons in Low Frequency Observations"
9:40 am - 9:45 amDiscussion
9:45 am - 10:00 amSelected from Poster Abstracts: Brian Kelch (University of Massachusetts Medical School, USA)
"A Disease-Causing Variant in PCNA Disrupts a Promiscuous Protein Binding Site"
10:00 am - 10:05 amDiscussion
10:05 am - 10:35 amCoffee Break
10:35 am - 10:50 amSelected from Poster Abstracts: Sarah Perry (University of Massachusetts, Amherst, USA)
"Time Resolved Serial Protein Crystallography in Ultra-Thin Microfluidic Devices"
10:50 am - 10:55 amDiscussion
10:55 am - 11:10 amSelected from Poster Abstracts: Katharina Brunner (Karolinska Institutet, Sweden)
"Cysteine Synthase Inhibitors with Antibacterial Potency Against Dormant Mycobacterium Tuberculosis"
11:10 am - 11:15 amDiscussion
11:15 am - 11:30 amSelected from Poster Abstracts: Ho Leung Ng (University of Hawaii, Manoa, USA)
"Seeing the Invisible: Hydrogen Atoms in X-Ray Crystallography Maps"
11:30 am - 11:35 amDiscussion
11:35 am - 11:50 amSelected from Poster Abstracts: Swagatha Ghosh (Institute of Stem Cell Biology and Regenerative Medicine, India)
"A Blue Protein with Red Fluorescence"
11:50 am - 11:55 amDiscussion
11:55 am - 12:10 pmSelected from Poster Abstracts: Mitchell Miller (Rice University, USA)
"Results from the Direct Phasing of Protein Structures with High Solvent Contents"
12:10 pm - 12:15 pmDiscussion
12:15 pm - 12:25 pmSelected from Poster Abstracts: Nicole Scarborough (Purdue University, USA)
"Dynamic X-ray Diffraction Sampling for Automated Protein Crystal Positioning"
12:25 pm - 12:30 pmDiscussion
12:30 pmLunch
1:30 pm - 4:00 pmFree Time
4:00 pm - 6:00 pmPoster Session
6:00 pmDinner
7:30 pm - 9:30 pmStructural and Dynamical Information Beyond Bragg
Discussion Leader: James Holton (Advanced Light Source, Lawrence Berkeley National Laboratory, USA)
7:30 pm - 7:35 pmIntroduction by Discussion Leader
7:35 pm - 8:00 pmMichael Wall (Los Alamos National Laboratory, USA)
"Probing Protein Structural Dynamics Using Diffuse X-Ray Scattering"
8:00 pm - 8:10 pmDiscussion
8:10 pm - 8:35 pmRobert Rambo (Diamond Light Source, United Kingdom)
"A Real-Space Modelling Algorithm for SAXS Using Information Theory and Computational Geometry"
8:35 pm - 8:45 pmDiscussion
8:45 pm - 9:15 pmNozomi Ando (Princeton University, USA)
"Untangling Protein Allostery"
9:15 pm - 9:25 pmDiscussion
9:25 pm - 9:30 pmClosing Remarks
Friday
7:30 am - 8:30 amBreakfast
9:00 amDeparture
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