Journal article
With phases: how two wrongs can sometimes make a right
- Abstract:
- In isolation, both weak isomorphous/anomalous difference signals from heavy-atom derivatization and phases from partial molecular-replacement solutions for a subset of the asymmetric unit often fall short of producing interpretable electron-density maps. Phases generated from very partial molecular-replacement models (if generated carefully) can be used to reliably locate heavy-atom sites, even if the signal is not sufficiently strong to allow robust finding of the sites using Patterson interpretation or direct methods. Additional advantages are that using molecular-replacement phases to define the heavy-atom substructure avoids the need for subsequent hand determination and/or origin-choice reconciliation and that the partial model can be used to aid the mask determination during solvent flattening. Two case studies are presented in which it was only by combining experimental and molecular-replacement phasing approaches that the crystal structures could be determined.
- Publication status:
- Published
- Peer review status:
- Peer reviewed
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(Preview, Version of record, pdf, 541.8KB, Terms of use)
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- Publisher copy:
- 10.1107/S0907444909048112
Authors
- Publisher:
- International Union of Crystallography
- Journal:
- Acta Crystallographica Section D: Biological Crystallography More from this journal
- Volume:
- 66
- Issue:
- 4
- Pages:
- 420-425
- Publication date:
- 2010-04-01
- Edition:
- Publisher's version
- DOI:
- ISSN:
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0907-4449
- Language:
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English
- Subjects:
- UUID:
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uuid:8d7c730a-23c9-44fe-8427-b16155e6a832
- Local pid:
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ora:5589
- Deposit date:
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2011-07-20
Terms of use
- Copyright holder:
- P Roversi, S Johnson & S M Lea
- Copyright date:
- 2010
- Notes:
- This is an open-access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited. For any reuse or distribution, it must be made clear to others what the licence terms of this work are.
- Licence:
- CC Attribution (CC BY)
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