Atomic-accuracy models from 4.5-Å cryo-electron microscopy data with density-guided iterative local refinement.

Abstract:

: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-Å 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.

journal_name

Nat Methods

journal_title

Nature methods

authors

DiMaio F,Song Y,Li X,Brunner MJ,Xu C,Conticello V,Egelman E,Marlovits T,Cheng Y,Baker D

doi

10.1038/nmeth.3286

subject

Has Abstract

pub_date

2015-04-01 00:00:00

pages

361-365

issue

4

eissn

1548-7091

issn

1548-7105

journal_volume

12

pub_type

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