A Bayesian approach to single-particle electron cryo-tomography in RELION-4.0.

Autor:	Zivanov J; MRC Laboratory of Molecular Biology, Cambridge, United Kingdom.; Laboratory of Biomedical Imaging (LIB), Lausanne, Switzerland.; BioEM lab, Biozentrum, University of Basel, Basel, Switzerland., Otón J; MRC Laboratory of Molecular Biology, Cambridge, United Kingdom.; ALBA Synchrotron, Barcelona, Spain., Ke Z; MRC Laboratory of Molecular Biology, Cambridge, United Kingdom.; Max Planck Institute of Biochemistry, Martinsried, Germany., von Kügelgen A; MRC Laboratory of Molecular Biology, Cambridge, United Kingdom.; Sir William Dunn School of Pathology, University of Oxford, Oxford, United Kingdom., Pyle E; Institute of Structural and Molecular Biology, Birkbeck College, London, United Kingdom., Qu K; MRC Laboratory of Molecular Biology, Cambridge, United Kingdom., Morado D; MRC Laboratory of Molecular Biology, Cambridge, United Kingdom.; Max Planck Institute of Biochemistry, Martinsried, Germany., Castaño-Díez D; BioEM lab, Biozentrum, University of Basel, Basel, Switzerland.; Instituto Biofisika, Leioa, Spain., Zanetti G; Institute of Structural and Molecular Biology, Birkbeck College, London, United Kingdom., Bharat TAM; MRC Laboratory of Molecular Biology, Cambridge, United Kingdom.; Sir William Dunn School of Pathology, University of Oxford, Oxford, United Kingdom., Briggs JAG; MRC Laboratory of Molecular Biology, Cambridge, United Kingdom.; Max Planck Institute of Biochemistry, Martinsried, Germany., Scheres SHW; MRC Laboratory of Molecular Biology, Cambridge, United Kingdom.
Jazyk:	angličtina
Zdroj:	ELife [Elife] 2022 Dec 05; Vol. 11. Date of Electronic Publication: 2022 Dec 05.
DOI:	10.7554/eLife.83724
Abstrakt:	We present a new approach for macromolecular structure determination from multiple particles in electron cryo-tomography (cryo-ET) data sets. Whereas existing subtomogram averaging approaches are based on 3D data models, we propose to optimise a regularised likelihood target that approximates a function of the 2D experimental images. In addition, analogous to Bayesian polishing and contrast transfer function (CTF) refinement in single-particle analysis, we describe the approaches that exploit the increased signal-to-noise ratio in the averaged structure to optimise tilt-series alignments, beam-induced motions of the particles throughout the tilt-series acquisition, defoci of the individual particles, as well as higher-order optical aberrations of the microscope. Implementation of our approaches in the open-source software package RELION aims to facilitate their general use, particularly for those researchers who are already familiar with its single-particle analysis tools. We illustrate for three applications that our approaches allow structure determination from cryo-ET data to resolutions sufficient for de novo atomic modelling. Competing Interests: JZ, JO, ZK, Av, EP, KQ, DM, DC, TB, JB No competing interests declared, GZ, SS Reviewing editor, eLife (© 2022, Zivanov et al.)
Databáze:	MEDLINE
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