title: Analysis of crystallization data in the Protein Data Bank.
abstract: The Protein Data Bank (PDB) is the largest available repository of solved protein structures and contains a wealth of information on successful crystallization. Many centres have used their own experimental data to draw conclusions about proteins and the conditions in which they crystallize. Here, data from the PDB were used to reanalyse some of these results. The most successful crystallization reagents were identified, the link between solution pH and the isoelectric point of the protein was investigated and the possibility of predicting whether a protein will crystallize was explored.
authors.affiliation: Department of Chemistry, University of York, York YO10 5DD, England.
authors.forename: Jobie
authors.initials: J
authors.lastname: Kirkwood
authors.affiliation: AstraZeneca, Darwin Building, Cambridge Science Park, Cambridge CB4 0WG, England.
authors.forename: David
authors.initials: D
authors.lastname: Hargreaves
authors.affiliation: Department of Computer Science, University of York, York YO10 5DD, England.
authors.forename: Simon
authors.initials: S
authors.lastname: O'Keefe
authors.affiliation: Department of Chemistry, University of York, York YO10 5DD, England.
authors.forename: Julie
authors.initials: J
authors.lastname: Wilson
mesh_terms: D000645:Ammonium Sulfate / Q000737:chemistry; D003460:Crystallization; D030562:Databases, Protein; D006863:Hydrogen-Ion Concentration; D007526:Isoelectric Point; D011092:Polyethylene Glycols / Q000737:chemistry; D013223:Statistics as Topic
chemical_list: D011092:Polyethylene Glycols; D000645:Ammonium Sulfate
keywords: PDB; crystallization; data; database; isoelectric point; pH; proteins; statistics