Macromolecular X-ray structure determination using weak, single-wavelength anomalous data
| Autor: | Randy J. Read, Ralf W. Grosse-Kunstleve, James M. Holton, Paul D. Adams, Airlie J. McCoy, Nathaniel Echols, Thomas C. Terwilliger, Gábor Bunkóczi |
|---|---|
| Přispěvatelé: | Read, Randy [0000-0001-8273-0047], Apollo - University of Cambridge Repository |
| Rok vydání: | 2014 |
| Předmět: |
Models
Molecular Electron density Macromolecular Substances methods [Crystallography X-Ray] Signal-To-Noise Ratio Crystallography X-Ray Biochemistry Signal Article Signal-to-noise ratio Medicine and Health Sciences Molecular Biology Physics Likelihood Functions Scattering chemistry [Macromolecular Substances] X-ray Cell Biology Computational physics Wavelength X-ray crystallography Substructure Algorithms Software Biotechnology |
| Zdroj: | Nature methods Bunkóczi, Gábor; McCoy, Airlie J; Echols, Nathaniel; Grosse-Kunstleve, Ralf W; Adams, Paul D; Holton, James M; et al.(2015). Macromolecular X-ray structure determination using weak, single-wavelength anomalous data.. Nature methods, 12(2), 127-130. UC Office of the President: Multicampus Research Programs and Initiatives (MRPI); a funding opportunity through UC Research Initiatives (UCRI). Retrieved from: http://www.escholarship.org/uc/item/8h47k843 |
| ISSN: | 1548-7105 1548-7091 |
| DOI: | 10.1038/nmeth.3212 |
| Popis: | 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. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
|