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- Title
Macromolecular X-ray structure determination using weak, single-wavelength anomalous data.
- Authors
Bunkóczi, Gábor; McCoy, Airlie J; Echols, Nathaniel; Grosse-Kunstleve, Ralf W; Adams, Paul D; Holton, James M; Read, Randy J; Terwilliger, Thomas C
- Abstract
We describe a likelihood-based method for determining the substructure of anomalously scattering atoms in macromolecular crystals that allows successful structure determination by single-wavelength anomalous diffraction (SAD) X-ray analysis with weak anomalous signal. With the use of partial models and electron density maps in searches for anomalously scattering atoms, testing of alternative values of parameters and parallelized automated model-building, this method has the potential to extend the applicability of the SAD method in challenging cases.
- Subjects
MACROMOLECULES; CRYSTALS; DIFFRACTION patterns; SCATTERING (Physics); ELECTRON density
- Publication
Nature Methods, 2015, Vol 12, Issue 2, p127
- ISSN
1548-7091
- Publication type
Article
- DOI
10.1038/nmeth.3212