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2018 ; 74
(Pt 2
): 117-124
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Substructure determination using phase-retrieval techniques
#MMPMID29533237
Skubák P
Acta Crystallogr D Struct Biol
2018[Feb]; 74
(Pt 2
): 117-124
PMID29533237
show ga
Thus far, the application of phase-retrieval methods in crystallography has
mainly been aimed at variants of charge flipping or structure-factor flipping. In
this work, the relaxed averaged alternating reflections (RAAR) algorithm is
applied to determine anomalously scattering substructures from single-wavelength
anomalous diffraction (SAD) data of macromolecules. The algorithm has been
implemented in a new program, PRASA, and has been shown to significantly
outperform charge flipping in determining anomalously scattering substructures on
a test sample of 169 SAD data sets with resolutions up to 3.88?Ĺ.