Maximum-likelihood determination of anomalous substructures.
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ABSTRACT:
SUBMITTER: Read RJ
PROVIDER: S-EPMC5947773 | biostudies-literature | 2018 Feb
REPOSITORIES: biostudies-literature
Publications
Maximum-likelihood determination of anomalous substructures.
Read Randy J RJ McCoy Airlie J AJ
Acta crystallographica. Section D, Structural biology 20180201 Pt 2
A fast Fourier transform (FFT) method is described for determining the substructure of anomalously scattering atoms in macromolecular crystals that allows successful structure determination by X-ray single-wavelength anomalous diffraction (SAD). This method is based on the maximum-likelihood SAD phasing function, which accounts for measurement errors and for correlations between the observed and calculated Bijvoet mates. Proof of principle is shown that this method can improve determination of t ...[more]
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