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

作者：Jasenko Zivanov, Takanori Nakane, Björn Forsberg, Dari Kimanius, Wim J. H. Hagen, Erik Lindahl, Sjors H. W. Scheres · 发表于：eLife · 年份：2018 · DOI：10.7554/elife.42166 · 被引用次数：5542 · 研究领域：Particle Accelerators and Free-Electron Lasers

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.