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    Reconstruction of Macromolecular Envelopes From Crystal X-Ray Diffraction Amplitudes

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    Author
    Lo, V.L.
    Millane, R.P.
    Kingston, R.L.
    Date
    2008
    Permanent Link
    http://hdl.handle.net/10092/3354

    The envelope problem in macromolecular x-ray crystallography involves determining the boundary of a molecule from measurements of amplitudes of x-rays diffracted from a crystalline specimen. This represents a highly underdetermined image reconstruction problem with a large number of degrees of freedom. We regularize the problem by applying binary and connectivity constraints to the image, and seek the solution using the method of iterated projections. However, since the constraints are highly non-convex, the usual methods of generalized projections are not effective. We use the difference map projection algorithm and show that this is effective with simulated diffraction data from a protein envelope.

    Subjects
    X-ray crystallography
     
    phase retrieval
     
    iterative projection algorithms
     
    image reconstructions
     
    Fields of Research::250000 Chemical Sciences::250500 Macromolecular Chemistry::250502 Physical chemistry of macromolecules
     
    Fields of Research::260000 Earth Sciences::260100 Geology::260101 Mineralogy and crystallography
     
    Fields of Research::280000 Information, Computing and Communication Sciences::280200 Artificial Intelligence and Signal and Image Processing::280203 Image processing
    Collections
    • Engineering: Conference Contributions [2012]
    Rights
    https://hdl.handle.net/10092/17651

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