Exploiting tertiary structure through local folds for crystallographic phasing

Nat Methods. 2013 Nov;10(11):1099-101. doi: 10.1038/nmeth.2644. Epub 2013 Sep 15.


We describe an algorithm for phasing protein crystal X-ray diffraction data that identifies, retrieves, refines and exploits general tertiary structural information from small fragments available in the Protein Data Bank. The algorithm successfully phased, through unspecific molecular replacement combined with density modification, all-helical, mixed alpha-beta, and all-beta protein structures. The method is available as a software implementation: Borges.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Algorithms
  • Crystallography / methods*
  • Databases, Protein
  • Models, Molecular
  • Protein Folding*
  • Protein Structure, Tertiary*

Associated data

  • PDB/4GDO
  • PDB/4GN0
  • PDB/4L1H