New tools for automated high-resolution cryo-EM structure determination in RELION-3

Here, we describe the third major release of RELION. CPU-based vector acceleration has been added in addition to GPU support, which provides flexibility in use of resources and avoids memory limitations. Reference-free autopicking with Laplacian-of-Gaussian filtering and execution of jobs from pytho...

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Veröffentlicht in:eLife Jg. 7
Hauptverfasser: Zivanov, Jasenko, Nakane, Takanori, Forsberg, Björn O, Kimanius, Dari, Hagen, Wim JH, Lindahl, Erik, Scheres, Sjors HW
Format: Journal Article
Sprache:Englisch
Veröffentlicht: England eLife Sciences Publications Ltd 09.11.2018
eLife Sciences Publications, Ltd
Schlagworte:
Automation
Automation, Laboratory - methods
Bayesian analysis
Biochemistry towards Bioinformatics
biokemi med inriktning mot bioinformatik
Classification
Cryo-EM
Cryoelectron Microscopy - methods
Datasets
Fourier transforms
Image Processing, Computer-Assisted - methods
Laboratories
Microscopy
Molecular biology
Sensors
single-particle analysis
Software
Structural Biology and Molecular Biophysics
Tools and Resources
Heidelberg Germany
Sweden
Stockholm Sweden
United States > US
Germany
structural biology
none
software
molecular biophysics
Cryo-EM
single-particle analysis
ISSN:2050-084X, 2050-084X
Online-Zugang:Volltext
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Beschreibung
Zusammenfassung:Here, we describe the third major release of RELION. CPU-based vector acceleration has been added in addition to GPU support, which provides flexibility in use of resources and avoids memory limitations. Reference-free autopicking with Laplacian-of-Gaussian filtering and execution of jobs from python allows non-interactive processing during acquisition, including 2D-classification, de novo model generation and 3D-classification. Per-particle refinement of CTF parameters and correction of estimated beam tilt provides higher resolution reconstructions when particles are at different heights in the ice, and/or coma-free alignment has not been optimal. Ewald sphere curvature correction improves resolution for large particles. We illustrate these developments with publicly available data sets: together with a Bayesian approach to beam-induced motion correction it leads to resolution improvements of 0.2–0.7 Å compared to previous RELION versions.
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These authors contributed equally to this work.
ISSN:2050-084X
2050-084X
DOI:10.7554/eLife.42166