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Local Error Estimates Dramatically Improve the Utility of Homology Models for Solving Crystal Structures by Molecular Replacement
University of Cambridge, England.
Linköping University, Department of Physics, Chemistry and Biology, Bioinformatics. Linköping University, The Institute of Technology.ORCID iD: 0000-0002-3772-8279
University of Cambridge, England.
2015 (English)In: Structure, ISSN 0969-2126, E-ISSN 1878-4186, Vol. 23, no 2, 397-406 p.Article in journal (Refereed) Published
Abstract [en]

Predicted structures submitted for CASP10 have been evaluated as molecular replacement models against the corresponding sets of structure factor amplitudes. It has been found that the log- likelihood gain score computed for each prediction correlates well with common structure quality indicators but is more sensitive when the accuracy of the models is high. In addition, it was observed that using coordinate error estimates submitted by predictors to weight the model can improve its utility in molecular replacement dramatically, and several groups have been identified who reliably provide accurate error estimates that could be used to extend the application of molecular replacement for low-homology cases.

Place, publisher, year, edition, pages
Elsevier (Cell Press) , 2015. Vol. 23, no 2, 397-406 p.
National Category
Biological Sciences
URN: urn:nbn:se:liu:diva-115323DOI: 10.1016/j.str.2014.11.020ISI: 000349402500018PubMedID: 25619999OAI: diva2:795079

Funding Agencies|NIH [P01GM063210]; Wellcome Trust (Principal Research Fellowship) [082961/Z/07/Z]; Swedish Research Council [621-2012-5270]; Swedish e-Science Research Center; Carl Tryggers Stiftelse

Available from: 2015-03-13 Created: 2015-03-13 Last updated: 2015-03-17

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