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Likelihood-based docking of models into cryo-EM maps

Accepted version
Peer-reviewed

Type

Article

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Authors

Millán, Claudia 
McCoy, Airlie J 
Terwilliger, Thomas C 

Abstract

Optimized docking of models into cryo-EM maps requires exploiting an understanding of the signal expected in the data to minimize the calculation time while maintaining sufficient signal. The likelihood-based rotation function used in crystallography can be employed to establish plausible orientations in a docking search. A phased likelihood translation function yields scores for the placement and rigid-body refinement of oriented models. Optimised strategies for choices of the resolution of data from the cryo-EM maps to use in the calculations and the size of search volumes are based on expected log-likelihood-gain scores, computed in advance of the search calculation. Tests demonstrate that the new procedure is fast, robust and effective at placing models into even challenging cryo-EM maps.

Description

Keywords

Journal Title

Acta Crystallographica Section D: Structural Biology

Conference Name

Journal ISSN

2059-7983

Volume Title

Publisher

Wiley-Blackwell
Sponsorship
Wellcome Trust (209407/Z/17/Z)
National Institute of General Medical Sciences (P01GM063210)