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Title: New methods for indexing multi-lattice diffraction data

Journal Article · · Acta Crystallographica. Section D: Biological Crystallography (Online)
 [1];  [2];  [1];  [1];  [3];  [4];  [5];  [1];  [1]
  1. Science and Technology Facilities Council (STFC), Harwell Campus, Oxford (United Kingdom). Diamond Light Source, Ltd.
  2. Science and Technology Facilities Council (STFC), Oxford (United Kingdom). Rutherford Appleton Lab. (RAL)
  3. Univ. of Oxford, Oxford (United Kingdom). The Wellcome Trust Centre for Human Genetics.
  4. Diamon Light Source Ltd, Didcot (England); Univ. of Oxford, Oxford (England). The Wellcome Trust Centre for Human Genetics.
  5. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Physical Biosciences Div.
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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 multi-lattice data and real multi-lattice data recorded from crystals of ~1 µm 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.

Research Organization:
Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Organization:
USDOE
Grant/Contract Number:
AC02-05CH11231
OSTI ID:
1213568
Journal Information:
Acta Crystallographica. Section D: Biological Crystallography (Online), Vol. 70, Issue 10; ISSN 1399-0047
Publisher:
International Union of CrystallographyCopyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 52 works
Citation information provided by
Web of Science

References (1)

Semisynthetic Multi-Lattice Diffraction Data dataset January 2014

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The structure of the tetanus toxin reveals pH-mediated domain dynamics journal December 2018

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Related Subjects

36 MATERIALS SCIENCE
indexing
multi-lattice data