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001032604 0247_ $$2ISSN$$a1548-7105
001032604 0247_ $$2datacite_doi$$a10.34734/FZJ-2024-06373
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001032604 1001_ $$00000-0002-3261-7035$$aLawson, Catherine L.$$b0
001032604 245__ $$aOutcomes of the EMDataResource cryo-EM Ligand Modeling Challenge
001032604 260__ $$aLondon [u.a.]$$bNature Publishing Group$$c2024
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001032604 520__ $$aThe EMDataResource Ligand Model Challenge aimed to assess the reliability and reproducibility of modeling ligands bound to protein and protein–nucleic acid complexes in cryogenic electron microscopy (cryo-EM) maps determined at near-atomic (1.9–2.5 Å) resolution. Three published maps were selected as targets: Escherichia coli beta-galactosidase with inhibitor, SARS-CoV-2 virus RNA-dependent RNA polymerase with covalently bound nucleotide analog and SARS-CoV-2 virus ion channel ORF3a with bound lipid. Sixty-one models were submitted from 17 independent research groups, each with supporting workflow details. The quality of submitted ligand models and surrounding atoms were analyzed by visual inspection and quantification of local map quality, model-to-map fit, geometry, energetics and contact scores. A composite rather than a single score was needed to assess macromolecule+ligand model quality. These observations lead us to recommend best practices for assessing cryo-EM structures of liganded macromolecules reported at near-atomic resolution.
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001032604 7001_ $$0P:(DE-HGF)0$$aBurley, Stephen K.$$b3
001032604 7001_ $$00000-0002-1969-9304$$aČerný, Jiří$$b4
001032604 7001_ $$00000-0003-2492-979X$$aChen, Vincent B.$$b5
001032604 7001_ $$0P:(DE-HGF)0$$aEmsley, Paul$$b6
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001032604 7001_ $$00000-0003-2535-6209$$aJoachimiak, Andrzej$$b8
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001032604 7001_ $$0P:(DE-HGF)0$$aPrisant, Michael G.$$b10
001032604 7001_ $$00000-0001-8273-0047$$aRead, Randy J.$$b11
001032604 7001_ $$00000-0002-3311-2944$$aRichardson, Jane S.$$b12
001032604 7001_ $$00000-0002-3343-9621$$aRohou, Alexis L.$$b13
001032604 7001_ $$00000-0001-7855-3690$$aSchneider, Bohdan$$b14
001032604 7001_ $$00000-0002-4194-1240$$aSellers, Benjamin D.$$b15
001032604 7001_ $$0P:(DE-HGF)0$$aShao, Chenghua$$b16
001032604 7001_ $$0P:(DE-HGF)0$$aSourial, Elizabeth$$b17
001032604 7001_ $$0P:(DE-HGF)0$$aWilliams, Chris I.$$b18
001032604 7001_ $$00000-0002-5808-8768$$aWilliams, Christopher J.$$b19
001032604 7001_ $$0P:(DE-Juel1)131050$$aYang, Ying$$b20
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001032604 7001_ $$0P:(DE-HGF)0$$aAfonine, Pavel V.$$b22
001032604 7001_ $$00000-0001-9039-8523$$aBaker, Matthew L.$$b23
001032604 7001_ $$00000-0002-8465-4823$$aBond, Paul S.$$b24
001032604 7001_ $$00000-0002-2708-8992$$aBlundell, Tom L.$$b25
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001032604 7001_ $$00000-0003-0305-2853$$aCheng, Jianlin$$b29
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001032604 7001_ $$00000-0001-6076-2187$$aLang, Lijun$$b45
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001032604 7001_ $$00000-0002-1696-7676$$aMaddhuri Venkata Subramaniya, Sai R.$$b47
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001032604 7001_ $$00000-0001-7039-2589$$aSi, Dong$$b65
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001032604 7001_ $$00000-0002-0623-3214$$aSobolev, Oleg V.$$b67
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