Gyreandgimble: a maximum-likelihood replacement for Patterson correlation refinement

Abstract

Descriptions are given of the maximum-likelihoodgyremethod implemented inPhaserfor optimizing the orientation and relative position of rigid-body fragments of a model after the orientation of the model has been identified, but before the model has been positioned in the unit cell, and also the relatedgimblemethod for the refinement of rigid-body fragments of the model after positioning.Gyrerefinement helps to lower the root-mean-square atomic displacements between model and target molecular-replacement solutions for the test case of antibody Fab(26-10) and improves structure solution withARCIMBOLDO_SHREDDER.