New tools for automated cryo-EM single-particle analysis in RELION-4.0.
computational biochemistry
cryo-electron microscopy
imaging techniques
structural biology
Journal
The Biochemical journal
ISSN: 1470-8728
Titre abrégé: Biochem J
Pays: England
ID NLM: 2984726R
Informations de publication
Date de publication:
22 12 2021
22 12 2021
Historique:
received:
04
10
2021
revised:
15
11
2021
accepted:
16
11
2021
pubmed:
17
11
2021
medline:
28
12
2021
entrez:
16
11
2021
Statut:
ppublish
Résumé
We describe new tools for the processing of electron cryo-microscopy (cryo-EM) images in the fourth major release of the RELION software. In particular, we introduce VDAM, a variable-metric gradient descent algorithm with adaptive moments estimation, for image refinement; a convolutional neural network for unsupervised selection of 2D classes; and a flexible framework for the design and execution of multiple jobs in pre-defined workflows. In addition, we present a stand-alone utility called MDCatch that links the execution of jobs within this framework with metadata gathering during microscope data acquisition. The new tools are aimed at providing fast and robust procedures for unsupervised cryo-EM structure determination, with potential applications for on-the-fly processing and the development of flexible, high-throughput structure determination pipelines. We illustrate their potential on 12 publicly available cryo-EM data sets.
Identifiants
pubmed: 34783343
pii: 230248
doi: 10.1042/BCJ20210708
pmc: PMC8786306
doi:
Substances chimiques
Proteins
0
Types de publication
Journal Article
Research Support, Non-U.S. Gov't
Langues
eng
Sous-ensembles de citation
IM
Pagination
4169-4185Subventions
Organisme : Medical Research Council
ID : MC_U105184326
Pays : United Kingdom
Organisme : Medical Research Council
ID : MC_UP_A025_1013
Pays : United Kingdom
Informations de copyright
© 2021 The Author(s).
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