title: Automated and accurate deposition of structures solved by X-ray diffraction to the Protein Data Bank.
abstract: The RCSB Protein Data Bank (PDB) has a number of options for deposition of structural data and has developed software tools to facilitate the process. In addition to ADIT and the PDB Validation Suite, a new software application, pdb_extract, has been designed to promote automatic data deposition of structures solved by X-ray diffraction. The pdb_extract software can extract information about data reduction, phasing, molecular replacement, density modification and refinement from the output files produced by many X-ray crystallographic applications. The options, procedures and tools for accurate and automated PDB data deposition are described here.
authors.affiliation: Protein Data Bank, Research Collaboratory for Structural Bioinformatics, Department of Chemistry and Chemical Biology, Rutgers, The State University of New Jersey, 610 Taylor Road, Piscataway, NJ 08854-8087, USA.
authors.forename: Huanwang
authors.initials: H
authors.lastname: Yang
authors.forename: Vladimir
authors.initials: V
authors.lastname: Guranovic
authors.forename: Shuchismita
authors.initials: S
authors.lastname: Dutta
authors.forename: Zukang
authors.initials: Z
authors.lastname: Feng
authors.forename: Helen M
authors.initials: HM
authors.lastname: Berman
authors.forename: John D
authors.initials: JD
authors.lastname: Westbrook
mesh_terms: D001331:Automation; D019295:Computational Biology; D018360:Crystallography, X-Ray; D003628:Database Management Systems; D030562:Databases, Protein; D016247:Information Storage and Retrieval; D008958:Models, Molecular; D011487:Protein Conformation; D011506:Proteins / Q000737:chemistry*; D015203:Reproducibility of Results; D020539:Sequence Analysis, Protein; D012984:Software; D014961:X-Ray Diffraction
chemical_list: D011506:Proteins