Title: A fully automatic method yielding initial models from high-resolution cryo-electron microscopy maps

Journal Article · · Nature Methods
ORCiD logo [1];  [2];  [3]; ORCiD logo [4]
  1. Los Alamos National Lab. (LANL), Los Alamos, NM (United States); New Mexico Consortium, Los Alamos, NM (United States
  2. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Molecular Biophysics & Integrated Bioimaging Division; Univ. of California, Berkeley, CA (United States). Dept. of Bioengineering
  3. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Molecular Biophysics & Integrated Bioimaging Division; Shanghai Univ., Shanghai (China). Dept. of Physics and International Centre for Quantum and Molecular Structures
  4. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Molecular Biophysics & Integrated Bioimaging Division

Here, we report a fully automated procedure for the optimization and interpretation of reconstructions from cryo-electron microscopy (cryo-EM) data, available in Phenix as phenix.map_to_model. We applied our approach to 476 datasets with resolution of 4.5 Å or better, including reconstructions of 47 ribosomes and 32 other protein–RNA complexes. The median fraction of residues in the deposited structures reproduced automatically was 71% for reconstructions determined at resolutions of 3 Å or better and 47% for those at resolutions worse than 3 Å.

Research Organization:
Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States); Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)
Sponsoring Organization:
National Institutes of Health (NIH); USDOE National Nuclear Security Administration (NNSA); USDOE Office of Science (SC)
Grant/Contract Number:
AC02-05CH11231; AC52-06NA25396
OSTI ID:
1601815
Report Number(s):
LA-UR-18-20450; ark:/13030/qt7tv065s4
Journal Information:
Nature Methods, Journal Name: Nature Methods Journal Issue: 11 Vol. 15; ISSN 1548-7091
Publisher:
Nature Publishing GroupCopyright Statement
Country of Publication:
United States
Language:
English

References (31)

UCSF Chimera?A visualization system for exploratory research and analysis journal January 2004
Overview and future of single particle electron cryomicroscopy journal September 2015
Mechanistic Origin of Microtubule Dynamic Instability and Its Modulation by EB Proteins journal August 2015
Breaking Cryo-EM Resolution Barriers to Facilitate Drug Discovery journal June 2016
Quantitative analysis of cryo-EM density map segmentation by watershed and scale-space filtering, and fitting of structures by alignment to regions journal June 2010
De Novo modeling in cryo-EM density maps with Pathwalking journal December 2016
Map segmentation, automated model-building and their application to the Cryo-EM Model Challenge journal November 2018
Cryo-EM structure of the protein-conducting ERAD channel Hrd1 in complex with Hrd3 journal July 2017
De novo protein structure determination from near-atomic-resolution cryo-EM maps journal February 2015
RosettaES: a sampling strategy enabling automated interpretation of difficult cryo-EM maps journal June 2017
Atomic resolution snapshot of Leishmania ribosome inhibition by the aminoglycoside paromomycin journal November 2017
De novo main-chain modeling for EM maps using MAINMAST journal April 2018
Cavin1 intrinsically disordered domains are essential for fuzzy electrostatic interactions and caveola formation journal February 2021
EMBuilder: A Template Matching-based Automatic Model-building Program for High-resolution Cryo-Electron Microscopy Maps journal June 2017
The Protein Data Bank journal January 2000
EMDataBank unified data resource for 3DEM journal November 2015
Automated main-chain model building by template matching and iterative fragment extension journal December 2002
Automated side-chain model building and sequence assignment by template matching journal December 2002
Considerations for the refinement of low-resolution crystal structures journal July 2006
PHENIX: a comprehensive Python-based system for macromolecular structure solution journal January 2010
Rapid chain tracing of polypeptide backbones in electron-density maps journal February 2010
Rapid model building of α-helices in electron-density maps journal February 2010
Model morphing and sequence assignment after molecular replacement journal October 2013
Automated map sharpening by maximization of detail and connectivity journal May 2018
Real-space refinement in PHENIX for cryo-EM and crystallography journal May 2018
The Protein Data Bank journal May 2002
Using Cryo-EM to Map Small Ligands on Dynamic Metabolic Enzymes: Studies with Glutamate Dehydrogenase journal April 2016
The Resolution Revolution journal March 2014
2.2 A resolution cryo-EM structure of  -galactosidase in complex with a cell-permeant inhibitor journal May 2015
PHENIX: a comprehensive Python-based system for macromolecular structure solution. text January 2010
Model morphing and sequence assignment after molecular replacement. text January 2013

Cited By (14)

Haruspex: A Neural Network for the Automatic Identification of Oligonucleotides and Protein Secondary Structure in Cryo‐Electron Microscopy Maps journal May 2020
Haruspex: A Neural Network for the Automatic Identification of Oligonucleotides and Protein Secondary Structure in Cryo‐Electron Microscopy Maps journal May 2020
Cryo‐EM map interpretation and protein model‐building using iterative map segmentation journal October 2019
Integrated NMR and cryo-EM atomic-resolution structure determination of a half-megadalton enzyme complex journal June 2019
Cryo-EM structure of a 40 kDa SAM-IV riboswitch RNA at 3.7 Å resolution journal December 2019
Measurement of atom resolvability in cryo-EM maps with Q-scores journal February 2020
Deep Learning to Predict Protein Backbone Structure from High-Resolution Cryo-EM Density Maps journal March 2020
Acta Crystallographica Section F – another home for cryo-electron microscopy contributions journal January 2019
Macromolecular structure determination using X-rays, neutrons and electrons: recent developments in Phenix journal October 2019
Cryo–electron microscopy structure and analysis of the P-Rex1–Gβγ signaling scaffold journal October 2019
Building de novo cryo-electron microscopy structures collaboratively with citizen scientists journal November 2019
Macromolecular structure determination using X-rays, neutrons and electrons: recent developments in Phenix. text January 2019
Structural Features of Tight-Junction Proteins journal November 2019
Advances in Structure Modeling Methods for Cryo-Electron Microscopy Maps journal December 2019

Similar Records

Tools for model-building with cryo-EM maps
Journal Article · 2017 · Computational Crystallography Newsletter · OSTI ID:1441347

New tools for the analysis and validation of cryo-EM maps and atomic models
Journal Article · 2018 · Acta Crystallographica. Section D. Structural Biology · OSTI ID:1468375

Resolving individual atoms of protein complex by cryo-electron microscopy
Journal Article · 2020 · Cell Research · OSTI ID:1673745

Related Subjects