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

TitleRefinement of protein structures into low-resolution density maps using rosetta
Publication TypeJournal Article
Year of Publication2009
AuthorsDiMaio, F., Tyka M. D., Baker M. L., Chiu W., & Baker D.
JournalJournal of molecular biology
Volume392
Issue1
Pagination181-90
Date Published2009 Sep 11
ISSN1089-8638
KeywordsCryoelectron Microscopy, Image Processing, Computer-Assisted, Primar Publication, Primary Publication, Proteins
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.

Alternate JournalJ. Mol. Biol.
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