A multivariate likelihood SIRAS function for phasing and model refinement.

By P. Skubák, G. Murshudov, Navraj S. Pannu. 2009

6 citations recorded by the source corpus.

A likelihood function based on the multivariate probability distribution of all observed structure-factor amplitudes from a single isomorphous replacement with anomalous scattering experiment has been derived and implemented for use in substructure refinement and phasing as well as macromolecular model refinement. Efficient calculation of a multidimensional integration required for function evaluation has been achieved by approximations based on the function's properties. The use of the function in both phasing and protein model building with iterative refinement was essential for successful automated model building in the test cases presented.

Subfields: Genetics, Materials Chemistry, Molecular Biology

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Citations in the corpus

Overview of the CCP4 suite and current developments (2011, background): “More recently, it has become possible to refine directly against anomalous data for the cases of SAD (Skubák et al., 2004) and SIRAS (Skubák et al., 2009) without the need for estimated phases and phase probabilities.”
Crystal structures (2004, unknown): “…the exploitation of all available experimental data for refinement, thus increasing the reliability of the refined model in the final stages of refinement and improving the electron density used in model building in the early stages of MX analysis (Bricogne, 1997; Skubák et al., 2004, 2009).”