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New methods for indexing multi-lattice diffraction data

DOI: 10.1107/S1399004714017039 DOI Help
PMID: 25286849 PMID Help

Authors: Richard Gildea (Diamond Light Source) , David G. Waterman (STFC) , James Parkhurst (Diamond Light Source) , Danny Axford (Diamond Light Source) , Geoff Sutton (University of Oxford) , Dave Stuart (Diamond Light Source) , Nicholas K. Sauter (Lawrence Berkeley National Laboratory) , Gwyndaf Evans (Diamond Light Source) , Graeme Winter (Diamond Light Source)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: Acta Crystallographica Section D Biological Crystallography , VOL 70 , PAGES 2652 - 2666

State: Published (Approved)
Published: October 2014

Open Access Open Access

Abstract: A new indexing method is presented which is capable of indexing multiple crystal lattices from narrow wedges of diffraction data. The method takes advantage of a simplification of Fourier transform-based methods that is applicable when the unit-cell dimensions are known a priori. The efficacy of this method is demonstrated with both semi-synthetic multilattice data and real multi-lattice data recorded from crystals of 1 mm in size, where it is shown that up to six lattices can be successfully indexed and subsequently integrated from a 1 wedge of data. Analysis is presented which shows that improvements in data-quality indicators can be obtained through accurate identification and rejection of overlapping reflections prior to scaling.

Journal Keywords: Indexing; Multi-Lattice Data; Crystal Lattices; Crystals; Diffraction; Reflection; Scaling

Subject Areas: Technique Development

Instruments: I04-Macromolecular Crystallography , I24-Microfocus Macromolecular Crystallography

Added On: 21/01/2015 14:37

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