Extending molecular-replacement solutions with SHELXE.
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ABSTRACT:
SUBMITTER: Thorn A
PROVIDER: S-EPMC3817699 | biostudies-literature | 2013 Nov
REPOSITORIES: biostudies-literature
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Extending molecular-replacement solutions with SHELXE.
Thorn Andrea A Sheldrick George M GM
Acta crystallographica. Section D, Biological crystallography 20131018 Pt 11
Although the program SHELXE was originally intended for the experimental phasing of macromolecules, it can also prove useful for expanding a small protein fragment to an almost complete polyalanine trace of the structure, given a favourable combination of native data resolution (better than about 2.1 Å) and solvent content. A correlation coefficient (CC) of more than 25% between the native structure factors and those calculated from the polyalanine trace appears to be a reliable indicator of suc ...[more]
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