Au courant computation of the PDB to audit diffraction anisotropy of soluble and membrane proteins.

ABSTRACT: This data article makes available the informed computation of the whole Protein Data Bank (PDB) to investigate diffraction anisotropy on a large scale and to perform statistics. This data has been investigated in detail in "X-ray diffraction reveals the intrinsic difference in the physical properties of membrane and soluble proteins" [1]. Diffraction anisotropy is traditionally associated with absence of contacts in-between macromolecules within the crystals in a given direction of space. There are however many case that do not follow this empirical rule. To investigate and sort out this discrepancy, we computed diffraction anisotropy for every entry of the PDB, and put them in context of relevant metrics to compare X-ray diffraction in reciprocal space to the crystal packing in real space

SUBMITTER: Robert X 

PROVIDER: S-EPMC6139481 | biostudies-literature | 2018 Aug

REPOSITORIES: biostudies-literature