How precise are reported protein coordinate data?. (1st March 2014)

• Record Type: Journal Article
• Authors: Konagurthu, Arun S.; Allison, Lloyd; Abramson, David; Stuckey, Peter J.; Lesk, Arthur M.
• Is Part Of: Acta crystallographica. Volume 70:Part 3(2014:Mar.)
• Page Start: 904
• Page End: 906
• Publication Date: 2014-03-01
• Subjects: Biomolecules -- Structure -- Periodicals; Physical biochemistry -- Periodicals; X-ray crystallography -- Periodicals; Crystallography -- Periodicals; 572
• DOI: 10.1107/S1399004713031787
• Languages: English
• ISSNs: 0907-4449

Abstract

<abstract abstract-type="main" xml:lang="en"> <title> <x xml:space="preserve">Abstract</x> </title> <p>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.</p> </abstract>