Open Accessσ 2 R , a reciprocal‐space measure of the quality of macromolecular electron‐density maps
Author(s) -
Terwilliger Thomas C.
Publication year - 1999
Publication title -
acta crystallographica section d
Language(s) - English
Resource type - Journals
ISSN - 1399-0047
DOI - 10.1107/s0907444999003583
Subject(s) - measure (data warehouse) , reciprocal , physics , space (punctuation) , quality (philosophy) , reciprocal lattice , macromolecule , electron density , electron , chemistry , optics , quantum mechanics , computer science , data mining , linguistics , philosophy , biochemistry , diffraction , operating system
It has previously been shown that the presence of distinct regions of solvent and protein in macromolecular crystals leads to a high value of the standard deviation of local r.m.s. electron density and that this can in turn be used as a reliable measure of the quality of macromolecular electron‐density maps [Terwilliger & Berendzen (1999 a ). Acta Cryst. D 55 , 501–505]. Here, it is demonstrated that a similar measure, , the variance of the local roughness of the electron density, can be calculated in reciprocal space. The formulation is suitable for rapid evaluation of macromolecular crystallographic phases, for phase improvement and for ab initio phasing procedures.