Refinement of protein structures into low-resolution density maps using rosetta.

ABSTRACT: We describe a method based on Rosetta structure refinement for generating high-resolution, all-atom protein models from electron cryomicroscopy density maps. A local measure of the fit of a model to the density is used to directly guide structure refinement and to identify regions incompatible with the density that are then targeted for extensive rebuilding. Over a range of test cases using both simulated and experimentally generated data, the method consistently increases the accuracy of starting models generated either by comparative modeling or by hand-tracing the density. The method can achieve near-atomic resolution starting from density maps at 4-6 A resolution.

SUBMITTER: DiMaio F 

PROVIDER: S-EPMC3899897 | biostudies-literature | 2009 Sep

REPOSITORIES: biostudies-literature