QUAFIT: a novel method for the quaternary structure determination from small-angle scattering data.

ABSTRACT: The new QUAFIT method for determining the quaternary structure of biological macromolecular assemblies by analyzing x-ray or neutron small-angle scattering data is presented. The method is based on the idea that asymmetric monomers, formed by rigid domains of known atomic structure possibly connected by flexible linkers of known sequence, are assembled according to a point-group symmetry combined with a screw axis. Scattering amplitudes of domains and linkers are determined by means of a spherical harmonics expansion and combined to get the form factor of the assembly. To avoid any overlap among domains, the contact distance between two asymmetric domains is determined as a function of their orientation by a new algorithm, based on Stone's Invariants expansion. To account for continuity an

SUBMITTER: Spinozzi F 

PROVIDER: S-EPMC3414896 | biostudies-literature | 2012 Aug

REPOSITORIES: biostudies-literature