title: How precise are reported protein coordinate data?
abstract: Atomic coordinates in the Worldwide Protein Data Bank (wwPDB) are generally reported to greater precision than the experimental structure determinations have actually achieved. By using information theory and data compression to study the compressibility of protein atomic coordinates, it is possible to quantify the amount of randomness in the coordinate data and thereby to determine the realistic precision of the reported coordinates. On average, the value of each C(α) coordinate in a set of selected protein structures solved at a variety of resolutions is good to about 0.1 Å.
authors.affiliation: Clayton School of Computer Science and Information Technology, Monash University, Clayton, VIC 3800, Australia.
authors.forename: Arun S
authors.initials: AS
authors.lastname: Konagurthu
authors.affiliation: Clayton School of Computer Science and Information Technology, Monash University, Clayton, VIC 3800, Australia.
authors.forename: Lloyd
authors.initials: L
authors.lastname: Allison
authors.affiliation: Clayton School of Computer Science and Information Technology, Monash University, Clayton, VIC 3800, Australia.
authors.forename: David
authors.initials: D
authors.lastname: Abramson
authors.affiliation: Department of Computing and Information Systems, University of Melbourne, Parkville, VIC 3010, Australia.
authors.forename: Peter J
authors.initials: PJ
authors.lastname: Stuckey
authors.affiliation: The Huck Institute of Genomics, Proteomics and Bioinformatics and the Department of Biochemistry and Molecular Biology, Pennsylvania State University, University Park, PA 16802, USA.
authors.forename: Arthur M
authors.initials: AM
authors.lastname: Lesk
mesh_terms: D018360:Crystallography, X-Ray / Q000592:standards; D030562:Databases, Protein / Q000592:standards*; D004015:Dictionaries, Chemical as Topic; D009682:Magnetic Resonance Spectroscopy / Q000592:standards; D008854:Microscopy, Electron / Q000592:standards; D011237:Predictive Value of Tests; D011897:Random Allocation; D014584:User-Computer Interface