title: RELION: implementation of a Bayesian approach to cryo-EM structure determination.
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.
authors.affiliation: MRC Laboratory of Molecular Biology, Hills Road, Cambridge CB2 0QH, UK. scheres@mrc-lmb.cam.ac.uk
authors.forename: Sjors H W
authors.initials: SH
authors.lastname: Scheres
mesh_terms: D000465:Algorithms; D001419:Bacteria / Q000737:chemistry; D001426:Bacterial Proteins / Q000737:chemistry*; D001499:Bayes Theorem; D020285:Cryoelectron Microscopy; D007091:Image Processing, Computer-Assisted; D021621:Imaging, Three-Dimensional; D011487:Protein Conformation; D012984:Software; D014764:Viral Proteins / Q000737:chemistry*; D014780:Viruses / Q000737:chemistry
chemical_list: D001426:Bacterial Proteins; D014764:Viral Proteins