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Nat Commun. 2013;4:2777. doi: 10.1038/ncomms3777.

Automatic protein structure solution from weak X-ray data.

Author information

1
Department of Biophysical Structural Chemistry, Leiden University, Einsteinweg 55, 2333 CC Leiden, The Netherlands.

Abstract

Determining new protein structures from X-ray diffraction data at low resolution or with a weak anomalous signal is a difficult and often an impossible task. Here we propose a multivariate algorithm that simultaneously combines the structure determination steps. In tests on over 140 real data sets from the protein data bank, we show that this combined approach can automatically build models where current algorithms fail, including an anisotropically diffracting 3.88 Å RNA polymerase II data set. The method seamlessly automates the process, is ideal for non-specialists and provides a mathematical framework for successfully combining various sources of information in image processing.

PMID:
24231803
PMCID:
PMC3868232
DOI:
10.1038/ncomms3777
[Indexed for MEDLINE]
Free PMC Article

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