Determining Complex Structures using Docking Method with Single Particle Scattering Data.

ABSTRACT: Protein complexes are critical for many molecular functions. Due to intrinsic flexibility and dynamics of complexes, their structures are more difficult to determine using conventional experimental methods, in contrast to individual subunits. One of the major challenges is the crystallization of protein complexes. Using X-ray free electron lasers (XFELs), it is possible to collect scattering signals from non-crystalline protein complexes, but data interpretation is more difficult because of unknown orientations. Here, we propose a hybrid approach to determine protein complex structures by combining XFEL single particle scattering data with computational docking methods. Using simulations data, we demonstrate that a small set of single particle scattering data collected at random orientatio

SUBMITTER: Wang H 

PROVIDER: S-EPMC5403940 | biostudies-literature | 2017

REPOSITORIES: biostudies-literature