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Outcomes of the 2019 EMDataResource model challenge: validation of cryo-EM models at near-atomic resolution

Authors :
Gunnar F. Schröder
Carmen J. Williams
Daisuke Kihara
Jonas Pfab
Tianqi Wu
Monastyrskyy B
Wang Z
Kevin Cowtan
Andrea C. Vaiana
Luisa U. Schäfer
Mark A. Herzik
Jianlin Cheng
Dilip Kumar
Renzhi Cao
Martyn Winn
Wah Chiu
Kryshtafovych A
Benjamin A Barad
Michael F. Schmid
Ken A. Dill
Genki Terashi
Singharoy A
Daniel P. Farrell
Li-Wei Hung
Pavel V. Afonine
Ardan Patwardhan
Stephanie A. Wankowicz
James S. Fraser
Jane S. Richardson
Paul D. Adams
Alberto Perez
Catherine L. Lawson
Mrinal Shekhar
Xiaodi Yu
Liguo Wang
Agnel Praveen Joseph
Paul S. Bond
Mateusz Olek
Colin M. Palmer
Helen M. Berman
Dong Si
Peter B. Rosenthal
Matthew L. Baker
Grzegorz Chojnowski
Grigore D. Pintilie
Thomas C. Terwilliger
Kaiming Zhang
Sumit Mittal
Jie Hou
Soon Wen Hoh
Depanjan Sarkar
Frank DiMaio
Maxim Igaev
Tom Burnley
Publication Year :
2020
Publisher :
Cold Spring Harbor Laboratory, 2020.

Abstract

This paper describes outcomes of the 2019 Cryo-EM Map-based Model Metrics Challenge sponsored by EMDataResource (www.emdataresource.org). The goals of this challenge were (1) to assess the quality of models that can be produced using current modeling software, (2) to check the reproducibility of modeling results from different software developers and users, and (3) compare the performance of current metrics used for evaluation of models. The focus was on near-atomic resolution maps with an innovative twist: three of four target maps formed a resolution series (1.8 to 3.1 Å) from the same specimen and imaging experiment. Tools developed in previous challenges were expanded for managing, visualizing and analyzing the 63 submitted coordinate models, and several novel metrics were introduced. The results permit specific recommendations to be made about validating near-atomic cryo-EM structures both in the context of individual laboratory experiments and holdings of structure data archives such as the Protein Data Bank. Our findings demonstrate the relatively high accuracy and reproducibility of cryo-EM models derived from these benchmark maps by 13 participating teams, representing both widely used and novel modeling approaches. We also evaluate the pros and cons of the commonly used metrics to assess model quality and recommend the adoption of multiple scoring parameters to provide full and objective annotation and assessment of the model, reflective of the observed density in the cryo-EM map.

Details

Database :
OpenAIRE
Accession number :
edsair.doi...........b8865de76a951abdceb7408e522b1f9d
Full Text :
https://doi.org/10.1101/2020.06.12.147033