Multiscale natural moves refine macromolecules using single-particle electron microscopy projection images.

ABSTRACT: The method presented here refines molecular conformations directly against projections of single particles measured by electron microscopy. By optimizing the orientation of the projection at the same time as the conformation, the method is well-suited to two-dimensional class averages from cryoelectron microscopy. Such direct use of two-dimensional images circumvents the need for a three-dimensional density map, which may be difficult to reconstruct from projections due to structural heterogeneity or preferred orientations of the sample on the grid. Our refinement protocol exploits Natural Move Monte Carlo to model a macromolecule as a small number of segments connected by flexible loops, on multiple scales. After tests on artificial data from lysozyme, we applied the method to the Methono

SUBMITTER: Zhang J 

PROVIDER: S-EPMC3382478 | biostudies-literature | 2012 Jun

REPOSITORIES: biostudies-literature