Automated MAD and MIR structure solution [electronic resource]
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| Online Access: |
Full Text (via OSTI) |
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| Corporate Author: | |
| Format: | Electronic eBook |
| Language: | English |
| Published: |
Washington, D.C. : Oak Ridge, Tenn. :
United States. Department of Energy. Office of Science ; Distributed by the Office of Scientific and Technical Information, U.S. Department of Energy,
1999.
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| Subjects: |
| Abstract: | <jats:p>Obtaining an electron-density map from X-ray diffraction data can be difficult and time-consuming even after the data have been collected, largely because MIR and MAD structure determinations currently require many subjective evaluations of the qualities of trial heavy-atom partial structures before a correct heavy-atom solution is obtained. A set of criteria for evaluating the quality of heavy-atom partial solutions in macromolecular crystallography have been developed. These have allowed the conversion of the crystal structure-solution process into an optimization problem and have allowed its automation. The <jats:italic>SOLVE</jats:italic> software has been used to solve MAD data sets with as many as 52 selenium sites in the asymmetric unit. The automated structure-solution process developed is a major step towards the fully automated structure-determination, model-building and refinement procedure which is needed for genomic scale structure determinations.</jats:p> |
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| Item Description: | Published through Scitech Connect. 04/01/1999. "Journal ID: ISSN 0907-4449." "Other: PII: S0907444999000839." Terwilliger, Thomas C. ; Berendzen, Joel ; |
| Physical Description: | Size: p. 849-861 : digital, PDF file. |