SLAC National Accelerator Laboratory
Structural Molecular Biology at SSRL U.S. Department of Energy: Office of Science
Pittsburgh Diffraction Society

78th Pittsburgh Diffraction Conference at SLAC
September 19-21, 2021

Agenda

Dates: September 19-21, 2021

The conference program will be held virtually as a satellite event of the 2021 SSRL/LCLS Users' Meeting and Workshops September 20-24th, 2021.

Zoom and kumospace will be used as the virtual platforms. Attendees will receive every day an email with the agenda and the zoom/kumospace links. Please be sure not to share the links since it should be accessed by registered conference participants only.


    Scientific Sessions

    Metals in Biology

    Scientific Opportunities for Remote Access to User Facilities

    PDC Plenary Session

    Metals in Biology (cont.)

    Diffraction and Material Research

    Computational Methods in Structural Sciences

    Complementarity Among Structural Methods

    CryoEM of macromolecules and cells

    Materials and Catalysis Research



    Agenda

    All times listed in PDT

    Sunday, September 19

    • 15:00 - 16:30 Welcome Social & Sponsor Exhibits

    • 16:30 - 17:30 Diffraction Games (Game Night Sponsored by DECTRIS Ltd.)

    Monday, September 20

      PDC/SSRL-LCLS Users' Meeting joint session

      8:00-8:20 Introduction to session and Metalloprotein Design Principles for Site-Selective Hydroxylation, Jennifer Bridwell-Rabb (University of Michigan)
      8:20-8:50 Observing Extradiol Dioxygenase in Action Through a Crystalline Lens, Aimin Liu (University of Texas at San Antonio)
      8:50-9:20 Structural Insights into the Transcriptional Regulation by WhiB-Like Proteins, Limei Zhang (University of Nebraska-Lincoln)
      9:20-9:30 Coffee Break
      9:30-10:00 Ingrid Pickering (University of Saskatchewan)
      10:00-10:20 Using Spectroscopy for the Pre-Characterization of Enzyme Reactions in Microcrystals for Effective Mix-and-Inject Experiments at X-ray Free-Electron Lasers, Kara Zielinski (Cornell University)
      10:20-1030 Coffee Break
      10:30-11:00 Sam Webb (SLAC/SSRL)
      11:00-11:30 The Great Metallocofactors of Biology, Catherine Drennan (MIT)
      11:30-12:00 Richard Neutze (University of Gothenburg)

      PDC/SSRL-LCLS Users' Meeting joint session

      8:00-8:20 Welcome and Introduction, Kevin Stone (SSRL)
      8:20-8:50 Sarah Hesse (SLAC)
      8:50-9:20 TBD
      9:20-9:50 Alex Wallace (SLAC)
      9:50-10:10 Coffee Break
      10:10-10:40 Automation and Remote Access to Room and Elevated Temperatures Experiments at the SSRL Structural Biology Beamlines, Silvia Russi (SSRL)
      10:40-11:10 Automation and Robotic Sample Changes for Materials Science Scattering Beamlines at SSRL, Kevin Stone (SSRL)
      11:10-12:00 Discussion

    • 12:00 - 13:00   SSRL Virtual Tour

      13:00-14:00 Keynote talk: Force-dependent allosteric regulation of molecular assemblies in cell-cell adhesion, William Weis (Stanford University)
      14:00-14:30 Young Investigator talk: Deep neural language modeling enables structurally and functionally active protein generation, Eric Greene (UCSF)

      PDC/SSRL-LCLS Users' Meeting joint session

      This second part of the Metals in Biology workshop will include time for discussion around different research areas linked by the common theme and use of SLAC facilities. Please join this popular workshop to learn the latest and spark new ideas and collaborations.
      14:30-15:00 Kevin Stone (SSRL)
      15:00-15:30 The Diffraction Suite at ORNL’s world leading neutron sources: High flux Isotope Reactor(HFIR) and Spallation Neutron Source (SNS), Clarina Dela Cruz (ORNL)
      15:30-16:00 Studying Metal Organic Framework Formation using Scattering Techniques, Gino Giri (University of Virginia)

    • 16:00 - 18:00   Poster Session & Sponsor Exhibits

    Tuesday, September 21

      PDC/SSRL-LCLS Users' Meeting joint session

      8:00-8:05 Introduction, Blaine Mooers (University of Oklahoma)
      8:05-8:30 Electron crystallography for X-ray crystallographers, Tim Gruene (Universität Wien)
      8:30-8:55 ISOLDE: Bringing macromolecular model building to life, Tristan Croll (Cambridge University)
      8:55-9:20 Advances in heterogeneous cryo-EM reconstruction with cryoDRGN, Ellen Zhong (MIT)
      9:20-9:45 Vagabond: torsion angle-based refinement for structural biology, Helen Ginn (Diamond Light Source)
      9:45-9:55 Coffee Break
      9:55-10:20 Simulations and refinement strategies for biomolecular crystals, David Case (Rutgers University)
      10:20-10:45 Flexible tools for scaling, merging, and analyzing your diffraction data, Doeke Hekstra (Harvard University)
      10:45-11:10 Efficient evaluation of structural dynamics and mechanisms of function using network models, Ivet Bahar (University of Pittsburgh)
      11:10-11:35 New computational approaches for interpreting small and wide angle scattering data, Lois Pollack (Cornell University)
      11:35-12:00 SAXS: ISOLDE: Bringing macromolecular model building to life, Steven Meisberger (Cornell University)
      8:00- 8:30 Direct Detection of Coupled Proton and Electron Transfers in Human Mitochondrial Manganese Superoxide Dismutase, Gloria Borgstahl (University of Nebraska)
      8:30-9:00 Site Mixing and Complex Magnetic Structures of Topological Insulators MnSb2Te4 and MnBi2Te4, Yaohua Liu (ORNL)
      9:00-9:30 Searching for Lattice Site Ordering in Combinatorial High Throughput Heusler Materials, Nathan Scott Johnson (Stanford University)
      9:30-10.00 Coffee Break
      10:00-10:30 Crystal structure of the SARS-CoV-2 NSP3 macrodomain determined using neutron diffraction, Galen Corey (UCSF)
      10:30-11:00 Synergistic Use of X-ray and NMR Improves Structural Biology, Fatema Bhinderwala (University of Pittsburgh)
      11:00-11:30 Room temperature X-ray crystallography reveals insights into directed evolution and protein design, Michael Thompson (UC Merced)
    • 12:00 - 13:00   LCLS Virtual Tour

      PDC/SSRL-LCLS Users' Meeting joint session

      Alfonso Mondragon (Northwestern University)
      Integration of biochemical and structural data to investigate stabilizing triplex-forming elements in RNA, Seyed Torabi (Yale University)
      Accelerating RNA structure determination with cryo-EM and DRRAFTER computational modeling, Kalli Kappel, MIT Board Institute
      Cryo-EM reveals multiple states in splicing reaction of Tetrahymena intron, Zhaoming Su (Sichuan University)
      Determination of small RNA-only 3D structures by Cryo-EM, Kaiming Zhang (National Natural Science Foundation of China NSFC)
      13:00-13:25 Quantification of heterogeneous, irreversible lithium plating in extreme fast charging of lithium-ion batteries using X-ray diffraction, Chuntian Chao (BNL)
      13:25-13:50 Yi Cui (Stanford University)
      13:50-14:15 Guided discovery and exploration of Mn-based magnetocaloric materials, Joya Cooley (California State University, Fullerton)
      14:15-14:35 Coffee Break
      14:35-15:00 New capabilities and upcoming opportunities for structural analysis at the APS, Uta Ruett (APS)
      15:00-15:25 X-ray nanodiffraction studies of ionically controlled cobaltite heterostructures, Roopali Kukreja (UC Davis)
      15:25-15:50 High Pressure Deformation of Al7075 Alloy, Abhinav Parakh (Stanford University)
    • 16:00 - 17:00   Poster awards and PDC business meeting