Statistical analysis of crystallization database links protein physico-chemical features with crystallization mechanisms.

ABSTRACT: X-ray crystallography is the predominant method for obtaining atomic-scale information about biological macromolecules. Despite the success of the technique, obtaining well diffracting crystals still critically limits going from protein to structure. In practice, the crystallization process proceeds through knowledge-informed empiricism. Better physico-chemical understanding remains elusive because of the large number of variables involved, hence little guidance is available to systematically identify solution conditions that promote crystallization. To help determine relationships between macromolecular properties and their crystallization propensity, we have trained statistical models on samples for 182 proteins supplied by the Northeast Structural Genomics consortium. Gaussian processes

SUBMITTER: Fusco D 

PROVIDER: S-EPMC4079662 | biostudies-literature | 2014

REPOSITORIES: biostudies-literature