Ab initio phasing by molecular averaging in real space with new criteria: application to structure determination of a betanodavirus.

ABSTRACT: Molecular averaging, including noncrystallographic symmetry (NCS) averaging, is a powerful method for ab initio phase determination and phase improvement. Applications of the cross-crystal averaging (CCA) method have been shown to be effective for phase improvement after initial phasing by molecular replacement, isomorphous replacement, anomalous dispersion or combinations of these methods. Here, a two-step process for phase determination in the X-ray structural analysis of a new coat protein from a betanodavirus, Grouper nervous necrosis virus, is described in detail. The first step is ab initio structure determination of the T = 3 icosahedral virus-like particle using NCS averaging (NCSA). The second step involves structure determination of the protrusion domain of the viral molecule usi

SUBMITTER: Yoshimura M 

PROVIDER: S-EPMC4932916 | biostudies-literature | 2016 Jul

REPOSITORIES: biostudies-literature