Report of a workshop on the use of statistical validators in protein X-ray crystallography

Abstract

Investigators from many of the major groups involved in developing structure and phase refinement packages were present. There were also representatives from the Brookhaven Protein Data Bank (PDB) and the International Union of Crystallography (IUCr), as well as other interested crystallographers. The program is given in the Appendix. The objectives were to review methods of refinement, with particular reference to new techniques and to evaluate methods for assessing the correctness and accuracy of refined atomic parameters. In addition efforts to assess density-modification routines and their power of phase improvement were discussed: articles by the three major contributors in this area are being published in this volume and are not addressed in detail here.