Automated structure refinement of macromolecular assemblies from cryo-EM maps using Rosetta.

ABSTRACT: Cryo-EM has revealed the structures of many challenging yet exciting macromolecular assemblies at near-atomic resolution (3-4.5Å), providing biological phenomena with molecular descriptions. However, at these resolutions, accurately positioning individual atoms remains challenging and error-prone. Manually refining thousands of amino acids - typical in a macromolecular assembly - is tedious and time-consuming. We present an automated method that can improve the atomic details in models that are manually built in near-atomic-resolution cryo-EM maps. Applying the method to three systems recently solved by cryo-EM, we are able to improve model geometry while maintaining the fit-to-density. Backbone placement errors are automatically detected and corrected, and the refinement shows a large rad

SUBMITTER: Wang RY 

PROVIDER: S-EPMC5115868 | biostudies-literature | 2016 Sep

REPOSITORIES: biostudies-literature