An approach to three-dimensional structures of biomolecules by using single-molecule diffraction images.

ABSTRACT: We describe an approach to the high-resolution three-dimensional structural determination of macromolecules that utilizes ultrashort, intense x-ray pulses to record diffraction data in combination with direct phase retrieval by the oversampling technique. It is shown that a simulated molecular diffraction pattern at 2.5-A resolution accumulated from multiple copies of single rubisco biomolecules, each generated by a femtosecond-level x-ray free electron laser pulse, can be successfully phased and transformed into an accurate electron density map comparable to that obtained by more conventional methods. The phase problem is solved by using an iterative algorithm with a random phase set as an initial input. The convergence speed of the algorithm is reasonably fast, typically around a few hun

SUBMITTER: Miao J 

PROVIDER: S-EPMC34406 | biostudies-literature | 2001 Jun

REPOSITORIES: biostudies-literature