Introduction

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

Dale. E. Tronrud

Howard Hughes Medical Institute
and
Institute of Molecular Biology
University of Oregon
Eugene, OR 97403

Submitted: J. Appl. Cryst. April 27, 1995
Revised: September 22, 1995
Accepted: October 4, 1995

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.

• Introduction
• Existing Methods and Limitations
• The Proposed Method
• Determination of Standard Values
• Results
• Example Refinement
• Summary
• Acknowledgements
• References
• About this document ...