NECAT Beamline

The Northeastern Collaborative Access Team (NE-CAT) facility at the Advanced Photon Source at Argonne National Laboratory is managed by Cornell University and consists of seven member institutions:

  • Columbia University
  • Cornell University
  • Harvard University
  • Memorial Sloan-Kettering Cancer Center
  • Massachusetts Institute of Technology
  • Rockefeller University
  • Yale University.

    • Primary funding for this project comes from the National Center for Research Resources (NCRR), a division of the National Institutes of Health (NIH). Additional financial support for NE-CAT comes from the member institutions.

    APS Users Week 2008

     

    Workshop 4

    Software for Challenging Cases in Macromolecular Crystallography

     

    Computation is involved in every facet of macromolecular crystallography, from data collection strategy to model building and refinement. While ‘typical' crystal structures can be solved using near-automated techniques, more challenging cases may demand new specialized software at a significant level of effort. This workshop will address the current state of computation in macromolecular crystallography with an emphasis on challenging cases – crystals with large unit cells, extremely small crystals, radiation sensitive crystals, etc. Software and techniques of general interest and those for specific challenges will be discussed, as well as real examples of difficult structure projects.

    Agenda

    9:00 - 9:40 Macromolecular Structure Refinement in PHENIX
    Pavel Afonine, Lawrence Berkeley National Laboratory
       
    9:40 - 10:20

    HKL-3000 - Towards the Future of Protein Crystallography
    Wladek Minor, University of Virginia

       
    10:20 - 10:40 Break
       
    10:40 - 11:20

    Integrating Diffraction Data With MOSFLM
    Andrew GW Leslie, MRC Laboratory of Molecular Biology, Cambridge , UK

       
    11:20 - 12:00

    Applying Parallel Computing to Quickly Find the Solution for Marginal-Quality Data
    Zheng-Qing (Albert) Fu, SER-CAT, University of Georgia

       
    12:00 - 1:30 Lunch
       
    1:30 - 2:10

    Using Weak Anomalous Signal for Phasing
    Zbigniew Dauter, National Cancer Institute, and Argonne National Laboratory

       
    2:10 - 2:50

    Web-Ice and Labelit: Tools for Convenient Diffraction Analysis at the Beamline
    Nicholas K. Sauter, Lawrence Berkeley National Laboratory

       
    2:50 - 3:10

    Break
       
    3:10 - 3:50

    MLFSOM: A Full Simulation of the Diffraction Experiment
    James M. Holton, University of California , Lawrence Berkeley National Laboratory

       
    3:50 - 4:30

    Management of Crystallographic Data and Structure Determination at JCSG
     Qingping Xu, JCSG, Stanford Synchrotron Radiation Laboratory

       

     
     

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