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 Cα coordinate in a set of selected protein structures solved at a variety of resolutions is good to about 0.1 Å. © 2014 International Union of Crystallography.