Journal
NATURE METHODS
Volume 12, Issue 4, Pages 361-U129Publisher
NATURE PUBLISHING GROUP
DOI: 10.1038/NMETH.3286
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Funding
- US National Institutes of Health (NIH) [R01GM092802, R01GM082893, R01GM098672, EB001567]
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We describe a general approach for refining protein structure models on the basis of cryo-electron microscopy maps with near-atomic resolution. The method integrates Monte Carlo sampling with local density-guided optimization, Rosetta all-atom refinement and real-space B-factor fitting. In tests on experimental maps of three different systems with 4.5-angstrom resolution or better, the method consistently produced models with atomic-level accuracy largely independently of starting-model quality, and it outperformed the molecular dynamics-based MDFF method. Cross-validated model quality statistics correlated with model accuracy over the three test systems.
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