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J Struct Biol. 2012 Dec;180(3):519-30. doi: 10.1016/j.jsb.2012.09.006. Epub 2012 Sep 19.

RELION: implementation of a Bayesian approach to cryo-EM structure determination.

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1
MRC Laboratory of Molecular Biology, Hills Road, Cambridge CB2 0QH, UK. scheres@mrc-lmb.cam.ac.uk

Abstract

RELION, for REgularized LIkelihood OptimizatioN, is an open-source computer program for the refinement of macromolecular structures by single-particle analysis of electron cryo-microscopy (cryo-EM) data. Whereas alternative approaches often rely on user expertise for the tuning of parameters, RELION uses a Bayesian approach to infer parameters of a statistical model from the data. This paper describes developments that reduce the computational costs of the underlying maximum a posteriori (MAP) algorithm, as well as statistical considerations that yield new insights into the accuracy with which the relative orientations of individual particles may be determined. A so-called gold-standard Fourier shell correlation (FSC) procedure to prevent overfitting is also described. The resulting implementation yields high-quality reconstructions and reliable resolution estimates with minimal user intervention and at acceptable computational costs.

PMID:
23000701
PMCID:
PMC3690530
DOI:
10.1016/j.jsb.2012.09.006
[Indexed for MEDLINE]
Free PMC Article
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