MatchMaps: Non-isomorphous difference maps for X-ray crystallography.

ABSTRACT: Conformational change mediates the biological functions of macromolecules. Crystallographic measurements can map these changes with extraordinary sensitivity as a function of mutations, ligands, and time. The isomorphous difference map remains the gold standard for detecting structural differences between datasets. Isomorphous difference maps combine the phases of a chosen reference state with the observed changes in structure factor amplitudes to yield a map of changes in electron density. Such maps are much more sensitive to conformational change than structure refinement is, and are unbiased in the sense that observed differences do not depend on refinement of the perturbed state. However, even minute changes in unit cell properties can render isomorphous difference maps useless. This i

SUBMITTER: Brookner DE 

PROVIDER: S-EPMC10508726 | biostudies-literature | 2024 Jan

REPOSITORIES: biostudies-literature