Crystallographic ab initio protein structure solution below atomic resolution

Nat Methods. 2009 Sep;6(9):651-3. doi: 10.1038/nmeth.1365. Epub 2009 Aug 16.


Ab initio macromolecular phasing has been so far limited to small proteins diffracting at atomic resolution (beyond 1.2 A) unless heavy atoms are present. We describe a general ab initio phasing method for 2 A data, based on combination of localizing model fragments such as small á-helices with Phaser and density modification with SHELXE. We implemented this approach in the program Arcimboldo to solve a 222-amino-acid structure at 1.95 A.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Crystallography / methods
  • Models, Molecular
  • Protein Conformation
  • Proteins / chemistry*


  • Proteins

Associated data

  • PDB/3GWH