研究セミナー RELION-3: new tools for automated high-resolution cryo-EM structure determination

I will 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. Multi-body refinement provides a new tool for describing molecular motions in large, multi-domain complexes. Bayesian polishing provides improved beam-induced motion correction and radiation-damage weighting. 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. Using a variety of publicly available data sets, I will illustrate how these developments lead to resolution improvements of 0.2-0.7Å compared to previous versions.