Symmetry-restrained flexible fitting for symmetric EM maps

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dc.contributor.authorChan, Kwok-Yan
dc.contributor.authorGumbart, James
dc.contributor.authorMcGreevy, Ryan
dc.contributor.authorWatermeyer, Jean M
dc.contributor.authorSewell, Trevor B
dc.contributor.authorSchulten, Klaus
dc.date.accessioned2016-08-31T11:26:21Z
dc.date.available2016-08-31T11:26:21Z
dc.date.issued2011
dc.date.updated2016-08-31T11:25:11Z
dc.description.abstractMany large biological macromolecules have inherent structural symmetry, being composed of a few distinct subunits, repeated in a symmetric array. These complexes are often not amenable to traditional high-resolution structural determination methods, but can be imaged in functionally relevant states using cryo-electron microscopy (cryo-EM). A number of methods for fitting atomic-scale structures into cryo-EM maps have been developed, including the molecular dynamics flexible fitting (MDFF) method. However, quality and resolution of the cryo-EM map are the major determinants of a method's success. In order to incorporate knowledge of structural symmetry into the fitting procedure, we developed the symmetry-restrained MDFF method. The new method adds to the cryo-EM map-derived potential further restraints on the allowed conformations of a complex during fitting, thereby improving the quality of the resultant structure. The benefit of using symmetry-based restraints during fitting, particularly for medium to low-resolution data, is demonstrated for three different systems.en_ZA
dc.identifierhttp://dx.doi.org/10.1016/j.str.2011.07.017
dc.identifier.apacitationChan, K., Gumbart, J., McGreevy, R., Watermeyer, J. M., Sewell, T. B., & Schulten, K. (2011). Symmetry-restrained flexible fitting for symmetric EM maps. <i>Structure</i>, http://hdl.handle.net/11427/21607en_ZA
dc.identifier.chicagocitationChan, Kwok-Yan, James Gumbart, Ryan McGreevy, Jean M Watermeyer, Trevor B Sewell, and Klaus Schulten "Symmetry-restrained flexible fitting for symmetric EM maps." <i>Structure</i> (2011) http://hdl.handle.net/11427/21607en_ZA
dc.identifier.citationChan, Kwok-Yan, James Gumbart, Ryan McGreevy, Jean M. Watermeyer, B. Trevor Sewell, and Klaus Schulten. "Symmetry-restrained flexible fitting for symmetric EM maps." Structure 19, no. 9 (2011): 1211-1218.en_ZA
dc.identifier.issn0969-2126en_ZA
dc.identifier.ris TY - Journal Article AU - Chan, Kwok-Yan AU - Gumbart, James AU - McGreevy, Ryan AU - Watermeyer, Jean M AU - Sewell, Trevor B AU - Schulten, Klaus AB - Many large biological macromolecules have inherent structural symmetry, being composed of a few distinct subunits, repeated in a symmetric array. These complexes are often not amenable to traditional high-resolution structural determination methods, but can be imaged in functionally relevant states using cryo-electron microscopy (cryo-EM). A number of methods for fitting atomic-scale structures into cryo-EM maps have been developed, including the molecular dynamics flexible fitting (MDFF) method. However, quality and resolution of the cryo-EM map are the major determinants of a method's success. In order to incorporate knowledge of structural symmetry into the fitting procedure, we developed the symmetry-restrained MDFF method. The new method adds to the cryo-EM map-derived potential further restraints on the allowed conformations of a complex during fitting, thereby improving the quality of the resultant structure. The benefit of using symmetry-based restraints during fitting, particularly for medium to low-resolution data, is demonstrated for three different systems. DA - 2011 DB - OpenUCT DP - University of Cape Town J1 - Structure LK - https://open.uct.ac.za PB - University of Cape Town PY - 2011 SM - 0969-2126 T1 - Symmetry-restrained flexible fitting for symmetric EM maps TI - Symmetry-restrained flexible fitting for symmetric EM maps UR - http://hdl.handle.net/11427/21607 ER - en_ZA
dc.identifier.urihttp://hdl.handle.net/11427/21607
dc.identifier.urihttp://www.cell.com/structure/abstract/S0969-2126(11)00277-2
dc.identifier.vancouvercitationChan K, Gumbart J, McGreevy R, Watermeyer JM, Sewell TB, Schulten K. Symmetry-restrained flexible fitting for symmetric EM maps. Structure. 2011; http://hdl.handle.net/11427/21607.en_ZA
dc.languageengen_ZA
dc.publisherElsevieren_ZA
dc.publisher.institutionUniversity of Cape Town
dc.sourceStructureen_ZA
dc.source.urihttp://www.cell.com/structure/home
dc.subject.otherSymmetry-restrained
dc.subject.othersymmetric EM maps
dc.titleSymmetry-restrained flexible fitting for symmetric EM mapsen_ZA
dc.typeJournal Articleen_ZA
uct.type.filetypeText
uct.type.filetypeImage
uct.type.publicationResearchen_ZA
uct.type.resourceArticleen_ZA
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