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Likelihood-based signal and noise analysis for docking of models into cryo-EM maps.

Published version
Peer-reviewed

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Authors

McCoy, Airlie J 
Terwilliger, Thomas C  ORCID logo  https://orcid.org/0000-0001-6384-0320

Abstract

Fast, reliable docking of models into cryo-EM maps requires understanding of the errors in the maps and the models. Likelihood-based approaches to errors have proven to be powerful and adaptable in experimental structural biology, finding applications in both crystallography and cryo-EM. Indeed, previous crystallographic work on the errors in structural models is directly applicable to likelihood targets in cryo-EM. Likelihood targets in Fourier space are derived here to characterize, based on the comparison of half-maps, the direction- and resolution-dependent variation in the strength of both signal and noise in the data. Because the signal depends on local features, the signal and noise are analysed in local regions of the cryo-EM reconstruction. The likelihood analysis extends to prediction of the signal that will be achieved in any docking calculation for a model of specified quality and completeness. A related calculation generalizes a previous measure of the information gained by making the cryo-EM reconstruction.

Description

Keywords

cryo-EM, docking, information gain, likelihood

Journal Title

Acta Crystallogr D Struct Biol

Conference Name

Journal ISSN

2059-7983
2059-7983

Volume Title

Publisher

International Union of Crystallography (IUCr)
Sponsorship
National Institute of General Medical Sciences (P01GM063210)
Wellcome Trust (209407/Z/17/Z)