A simple technique to classify diffraction data from dynamic proteins according to individual polymorphs.

ABSTRACT: One often observes small but measurable differences in the diffraction data measured from different crystals of a single protein. These differences might reflect structural differences in the protein and may reveal the natural dynamism of the molecule in solution. Partitioning these mixed-state data into single-state clusters is a critical step that could extract information about the dynamic behavior of proteins from hundreds or thousands of single-crystal data sets. Mixed-state data can be obtained deliberately (through intentional perturbation) or inadvertently (while attempting to measure highly redundant single-crystal data). To the extent that different states adopt different molecular structures, one expects to observe differences in the crystals; each of the polystates will create

SUBMITTER: Nguyen T 

PROVIDER: S-EPMC8900820 | biostudies-literature | 2022 Mar

REPOSITORIES: biostudies-literature