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Automatic protein structure solution from weak X-ray data.


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.

SUBMITTER: Skubak P 

PROVIDER: S-EPMC3868232 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

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Automatic protein structure solution from weak X-ray data.

Skubák Pavol P   Pannu Navraj S NS  

Nature communications 20130101


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.  ...[more]

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