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S.-L. Chang, Y. P. Stetsko, Y.- R. Lee

Qantitative determination of phase for macromolecular crystals using multiple diffraction methods and dynamical theory

Multiple diffraction techniques for quantitative phase determination of macromolecular crystals are briefly described and overviewed. The modified second-order iterative approximation [Chang, S. L.; Tang, M. T.: Acta Cryst. A44 (1988) 1065] is employed to derive analytic expressions for the phase sensitivity of multiple diffraction and the visibility of multiple diffraction line profiles. Calculated visibility and sensitivity of three-beam cases of the protein, aldose reductase, are illustrated. The functions used for intensity profile fitting in the quantitative phase determination procedure are also modified accordingly. This calculation provides an effective way of choosing appropriate reflections for experimentally generating useful three-beam diffractions for phase analysis. Other practical issues are also addressed.

Zeitschrift für Kristallographie, Oldenbourg Wissenschaftsverlag

Print ISSN: 0044-2968
Volume: 217, 12/2002
Pages: 662

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