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Figure 3
(a) Refined occupancy against peak number for SHELXD location of the 12 S atoms from SAD data for elastase. (b) The same for SIRAS data from an iodide soak of elastase; the peaks with occupancies less than 0.2 are probably noise. (c) CC histogram for the sulfur-SAD phasing showing 23 correct solutions with CC = 36% out of 100 trials. (d) Variation of the contrast (see §2.3[link]) during SHELXE density modification starting from substructure (a); the inverted heavy-atom substructure (blue points) is correct. The diagrams were drawn with hkl2map (Pape & Schneider, 2004BB31).

ISSN: 2053-2733
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