Reconstruction from limited single-particle diffraction data via simultaneous determination of state, orientation, intensity, and phase.

ABSTRACT: Free-electron lasers now have the ability to collect X-ray diffraction patterns from individual molecules; however, each sample is delivered at unknown orientation and may be in one of several conformational states, each with a different molecular structure. Hit rates are often low, typically around 0.1%, limiting the number of useful images that can be collected. Determining accurate structural information requires classifying and orienting each image, accurately assembling them into a 3D diffraction intensity function, and determining missing phase information. Additionally, single particles typically scatter very few photons, leading to high image noise levels. We develop a multitiered iterative phasing algorithm to reconstruct structural information from single-particle diffraction dat

SUBMITTER: Donatelli JJ 

PROVIDER: S-EPMC5514772 | biostudies-literature | 2017 Jul

REPOSITORIES: biostudies-literature