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Cited by 3,036

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Automated MAD and MIR structure solution

Open access
Terwilliger, Thomas C., Berendzen, Joel·1999·Acta Crystallographica Section D Biological Crystallography

Abstract

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 SOLVE 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.

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Metadata

Authors
Terwilliger, T. C., & Berendzen, J.
Venue
Acta Crystallographica Section D Biological Crystallography
Published
1999-04-01
Volume
55
Issue
4
Pages
849-861
ISSN
0907-4449 (ISSN-L)
OpenAlex
W1965277349
Cited by
3,036
References
1
FWCI
140.67
Type
journal article
Language
en
Open access
hybrid

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CoChat. (2026). Citation check: Automated MAD and MIR structure solution. https://app.cochat.ai/papers/10.1107/s0907444999000839
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Terwilliger, T. C., & Berendzen, J. (1999). Automated MAD and MIR structure solution. Acta Crystallographica Section D Biological Crystallography. https://doi.org/10.1107/s0907444999000839

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