Macromolecular Refinement. Proceedings of the CCP4 Study Weekend

摘要

;Contents: The limits of interpretation; Protein precision re-examined: Luzzatiplots do not estimate final errors; Review: cross-validation and the free-R; Self-validation: an extended Hamilton test; Full matrix least squares; Least-squares refinement of macromolecules: estimated standard deviations, NCS restraints and factors affecting convergence; Torsion angle dynamics refinement of the Chaperonin GroEl at 2.8 Angstrom resolution; Real space refinement as a tool for model building; Improved structure refinement through maximum likelihood; Maximum-likelihood structure refinement: theory and implementation within BUSTER + TNT; and Application of maximum likelihood methods for macromolecular refinement.