Journal
JOURNAL OF MOLECULAR BIOLOGY
Volume 392, Issue 1, Pages 181-190Publisher
ACADEMIC PRESS LTD- ELSEVIER SCIENCE LTD
DOI: 10.1016/j.jmb.2009.07.008
Keywords
cryoEM; density fitting; structure prediction; Rosetta; comparative modeling
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Funding
- National Science Foundation [IIS-0705474]
- National Institutes of Health [P41RR02250, PN2EY016525]
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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 angstrom resolution. (C) 2009 Elsevier Ltd. All rights reserved.
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