A general method for directly phasing diffraction data from high-solvent-content protein crystals.

ABSTRACT: A procedure is described for direct phase determination in protein crystallography, applicable to crystals with high solvent content. The procedure requires only the diffraction data and an estimate of the solvent content as input. Direct phase determination is treated as a constraint satisfaction problem, in which an image is sought that is consistent with both the diffraction data and generic constraints on the density distribution in the crystal. The problem is solved using an iterative projection algorithm, the Difference Map algorithm, which has good global convergence properties, and can locate the correct solution without any initial phase information. Computational efficiency is improved by breaking the problem down into two stages; initial approximation of the molecular env

SUBMITTER: Kingston RL 

PROVIDER: S-EPMC9438493 | biostudies-literature | 2022 Sep

REPOSITORIES: biostudies-literature