On the routine use of soft X-rays in macromolecular crystallography. Part V. Molecular replacement and anomalous scattering

Johan Unge, Christoph Mueller-Dieckmann, Santosh Panjikar, Paul A. Tucker, Victor S. Lamzin, Manfred S. Weiss

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4 Citations (Scopus)

Abstract

Currently, about two thirds of all new macromolecular structures are determined by molecular replacement. In general the method works reliably, but it reaches its limits when the search model differs too much from the target structure in terms of coordinate deviations or completeness. Since anomalously scattering substructures are better con-served than the overall structure, these substructures and the corresponding anomalous intensity differences can be utilized to enhance the performance of molecular-replacement approaches. It is demonstrated that the combined and concomitant use of structure-factor amplitudes and anomalous differences constitutes a promising approach to push the limits of molecular replacement and to make more structures amenable to structure solution by this technique.

Original languageEnglish
Pages (from-to)729-738
Number of pages10
JournalActa Crystallographica Section D: Biological Crystallography
Volume67
Issue number8
DOIs
Publication statusPublished - Aug 2011
Externally publishedYes

Keywords

  • anomalous scattering
  • molecular replacement
  • soft X-rays

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