Crystallographic phase retrieval through image processing under constraints

Details Crystallographic phase retrieval through image processing under constraints Crystallographic phase retrieval through image processing under constraints

Nov 1993

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=1993spie.2029..128z&link_type=abstract

Proc. SPIE Vol. 2029, p. 128-136, Digital Image Recovery and Synthesis II, Paul S. Idell; Ed.

Physics

Scientific paper

The crystallographic image processing techniques of Sayre's equation, molecular averaging, solvent flattening and histogram matching are combined in an integrated procedure for macromolecular phase retrieval. It employs the constraints of the local shape of electron density, equal molecules, solvent flatness and correct electron density distribution. These constraints on electron density image are satisfied simultaneously by solving a system of non- linear equations using fast Fourier transform. The electron density image is further filtered under the constraint of observed diffraction amplitudes. The effect of each constraint on phase retrieval is examined. The constraints are found to work synergistically in phase retrieval. Test results on 2Zn insulin are presented.

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