Journal of Applied Crystallography

Volume 29, Part 2 (April 1996)


research papers



J. Appl. Cryst. (1996). 29, 100-104    [ doi:10.1107/S002188989501421X ]

Knowledge-Based B-Factor Restraints for the Refinement of Proteins

D. E. Tronrud

Abstract: A new type of restraint for the B factors of atoms in low- to-moderate resolution models of proteins is proposed. This restraint incorporates the knowledge that the B factors of two atoms bonded to each other may be systemically different. In addition, some bonded pairs of atoms will be more consistent from structure to structure than others. With the use of B-factor restraints of this type, it is possible to construct models whose B factors are consistent with accurately known protein structures, even though only low-resolution crystallographic data are available.

 bibliographic record in  format

  Find reference:   Volume   Page   
  Search:     From   to      Advanced search

Copyright © International Union of Crystallography
IUCr Webmaster