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Task Force Charge

For Discussion:

  • Should the PDB accept (some types of) models based on SAS studies (an alternative could be, for instance, to capture such models in a separate database)?
  • If you should answer the first question in the affirmative, then a number of follow-up questions arise, including:
  • Which types of models should be included (and which should not)?
  • What are the minimum requirements for these models?
  • What are the requirements regarding the supporting experimental data that need to be deposited?
  • What validation procedures should be applied in the deposition and annotation process (pertaining to the quality of the model, the quality of the data, and the quality of the fit of the model to the data)?

If the PDB should include SAS-based models, there are a number of fixed requirements that have to be imposed. 

Publication guidelines for structural modelling of small-angle scattering data from biomolecules in solution
David A. Jacques, J. Mitchell Guss, Dmitri I. Svergun and Jill Trewhella
Acta Cryst. (2012). D68, 620-626 

Publications from other wwPDB Task Forces:

  • A New Generation of Crystallographic Validation Tools for the Protein Data Bank
    Randy J. Read, Paul D. Adams, W. Bryan Arendall III, Axel T. Brunger, Paul Emsley, Robbie P. Joosten, Gerard J. Kleywegt, Eugene B. Krissinel, Thomas Lütteke, Zbyszek Otwinowski, Anastassis Perrakis, Jane S. Richardson, William H. Sheffler, Janet L. Smith, Ian J. Tickle, Gert Vriend and Peter H. Zwart.
    (2011) Structure 19: 1395-1412.

  • Outcome of the First Electron Microscopy Validation Task Force Meeting,
    Richard Henderson, Andrej Sali, Matthew L. Baker, Bridget Carragher, Batsal Devkota, Kenneth H. Downing, Edward H. Egelman, Zukang Feng, Joachim Frank, Nikolaus Grigorieff, Wen Jiang, Steven J. Ludtke, Ohad Medalia, Pawel A. Penczek, Peter B. Rosenthal, Michael G. Rossmann, Michael F. Schmid, Gunnar F. Schröder, Alasdair C. Steven, David L. Stokes, John D. Westbrook, Willy Wriggers, Huanwang Yang, Jasmine Young, Helen M. Berman, Wah Chiu, Gerard J. Kleywegt, and Catherine L. Lawson. (2012) Structure 20: 205-214.