New methods for indexing multi-lattice diffraction data

Acta Crystallogr D Biol Crystallogr. 2014 Oct;70(Pt 10):2652-66. doi: 10.1107/S1399004714017039. Epub 2014 Sep 27.

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 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.

Keywords: indexing; multi-lattice data.

Publication types

  • Research Support, N.I.H., Extramural
  • Research Support, Non-U.S. Gov't

MeSH terms

  • Abstracting and Indexing / methods*
  • Algorithms*
  • Crystallography, X-Ray / methods*
  • Databases, Protein
  • Fourier Analysis
  • Proteins / chemistry
  • X-Ray Diffraction

Substances

  • Proteins