@article{1fd2ef80a6eb4c1b9914b5a65b68f8a5,
title = "A new generation of crystallographic validation tools for the Protein Data Bank",
abstract = "This report presents the conclusions of the X-ray Validation Task Force of the worldwide Protein Data Bank (PDB). The PDB has expanded massively since current criteria for validation of deposited structures were adopted, allowing a much more sophisticated understanding of all the components of macromolecular crystals. The size of the PDB creates new opportunities to validate structures by comparison with the existing database, and the now-mandatory deposition of structure factors creates new opportunities to validate the underlying diffraction data. These developments highlighted the need for a new assessment of validation criteria. The Task Force recommends that a small set of validation data be presented in an easily understood format, relative to both the full PDB and the applicable resolution class, with greater detail available to interested users. Most importantly, we recommend that referees and editors judging the quality of structural experiments have access to a concise summary of well-established quality indicators.",
author = "Read, {Randy J.} and Adams, {Paul D.} and Arendall, {W. Bryan} and Brunger, {Axel T.} and Paul Emsley and Joosten, {Robbie P.} and Kleywegt, {Gerard J.} and Krissinel, {Eugene B.} and Thomas L{\"u}tteke and Zbyszek Otwinowski and Anastassis Perrakis and Richardson, {Jane S.} and Sheffler, {William H.} and Smith, {Janet L.} and Tickle, {Ian J.} and Gert Vriend and Zwart, {Peter H.}",
note = "Funding Information: We thank the Worldwide PDB partners for their support of the work of the X-ray Validation Task Force. The Research Collaboratory for Structural Bioinformatics (RCSB) PDB (NSF DBI 0829586) and the European Bioinformatics Institute (EBI) provided generous financial and logistic support for the workshop that laid the foundations for this report. Our research is supported by the NIH (1P01 GM063210 to P.D.A., R.J.R., and J.S.R.; R01-DK42303 and R01-GM81544 to J.L.S.; R01-GM073919 and R01-GM073930 for W.B.A. and J.S.R.), the Howard Hughes Medical Institute (to A.T.B.), the Wellcome Trust (grant no. 082961 to R.J.R.), National Computing Facilities Foundation, NCF for the use of supercomputer facilities, with financial support from the Netherlands Organization for Scientific Research, NWO (to R.P.J. and G.V.), the BioRange programme of NBIC, which is supported by a BSIK grant through the Netherlands Genomics Initiative (to R.P.J. and T.L.), the EU project EMBRACE Grid which is funded by the European Commission within its FP6 Programme, under the thematic area “Life sciences, genomics and biotechnology for health,” contract number LUNG-CT-2004-512092 (to G.V.), CCP4, which is funded by BBSRC (E.K.) and EMBL (E.K.). G.J.K., while a member of the VTF (until 31 May, 2009), was supported by Uppsala University, the Royal Swedish Academy of Sciences (K.V.A.), and the Swedish Research Council (V.R.). ",
year = "2011",
month = oct,
day = "12",
doi = "10.1016/j.str.2011.08.006",
language = "English (US)",
volume = "19",
pages = "1395--1412",
journal = "Structure",
issn = "0969-2126",
publisher = "Cell Press",
number = "10",
}