Matthews coefficient probabilities: Improved estimates for unit cell contents of proteins, DNA, and protein–nucleic acid complex crystals

Estimating the number of molecules in the crystallographic asymmetric unit is one of the first steps in a macromolecular structure determination. Based on a survey of 15641 crystallographic Protein Data Bank (PDB) entries the distribution of V(M), the crystal volume per unit of protein molecular weight, known as Matthews coefficient, has been reanalyzed. The range of values and frequencies has changed in the 30 years since Matthews first analysis of protein crystal solvent content. In the statistical analysis, complexes of proteins and nucleic acids have been treated as a separate group. In addition, the V(M) distribution for nucleic acid crystals has been examined for the first time. Observing that resolution…

• UD
  U.S. Department of Energy

  Award: W-7405
• WM
  W. M. Keck Foundation
• WF
  Welch Foundation
• UO
  University of Oregon
• UO
  University of Alberta
• TU
  Technische Universität München
• NI
  National Institutes of Health

  Awards: NIH P50, W-7405-ENG-48
• PF
  Program for Education and Research in Biotechnology, California State University
• LL
  Lawrence Livermore National Laboratory