Change search
ReferencesLink to record
Permanent link

Direct link
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

Open Access in DiVA

fulltext(483 kB)61 downloads
File information
File name FULLTEXT01.pdfFile size 483 kBChecksum SHA-512
Type fulltextMimetype application/pdf

Other links

Publisher's full textPubMed

Search in DiVA

By author/editor
Wallner, Björn
By organisation
BioinformaticsThe Institute of Technology
In the same journal
Biological Sciences

Search outside of DiVA

GoogleGoogle Scholar
Total: 61 downloads
The number of downloads is the sum of all downloads of full texts. It may include eg previous versions that are now no longer available

Altmetric score

Total: 49 hits
ReferencesLink to record
Permanent link

Direct link