title: Safeguarding Structural Data Repositories against Bad Apples.
abstract: Structural biology research generates large amounts of data, some deposited in public databases or repositories, but a substantial remainder never becomes available to the scientific community. In addition, some of the deposited data contain less or more serious errors that may bias the results of data mining. Thorough analysis and discussion of these problems is needed to ameliorate this situation. This perspective is an attempt to propose some solutions and encourage both further discussion and action on the part of the relevant organizations, in particular the PDB and various bodies of the International Union of Crystallography.
authors: Department of Molecular Physiology and Biological Physics, University of Virginia, Charlottesville, VA 22908, USA. Electronic address: wladek@iwonka.med.virginia.edu.
authors: Wladek
authors: W
authors: Minor
authors: Synchrotron Radiation Research Section, Macromolecular Crystallography Laboratory, National Cancer Institute, Argonne National Laboratory, Argonne, IL 60439, USA.
authors: Zbigniew
authors: Z
authors: Dauter
authors: School of Chemistry, University of Manchester, Manchester M13 9PL, UK.
authors: John R
authors: JR
authors: Helliwell
authors: Center for Biocrystallographic Research, Institute of Bioorganic Chemistry, Polish Academy of Sciences and Department of Crystallography, Faculty of Chemistry, A. Mickiewicz University, 60-780 Poznan, Poland.
authors: Mariusz
authors: M
authors: Jaskolski
authors: Protein Structure Section, Macromolecular Crystallography Laboratory, National Cancer Institute, Frederick, MD 21702, USA.
authors: Alexander
authors: A
authors: Wlodawer
mesh_terms: D019295:Computational Biology / Q000379:methods*; D000068598:Data Accuracy; D057225:Data Mining; D030562:Databases, Protein / Q000592:standards*; D008958:Models, Molecular; D011487:Protein Conformation; D011506:Proteins / Q000737:chemistry*
chemical_list: D011506:Proteins