Table 1. Summary of data collection and analysis of heavy-atom derivatives in which 10 to 3.5 A area-detector data were used. The number in parentheses after the number of unique reflections is the percent completeness of the data. Rmerge is reported for intensities. RF is the percentage change between native (Fl) and scaled derivative (F2) data. FH/E is the average value of the heavy-atom contribution divided by lack-of-closure error. No Au position was identified in the combined Pt-Au heavy-atom soak.
Data Resolution Observations
(A) Total Unique(%) Rmerge Rf FH/E
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Native 2.8 158,195 19,954(96) 11.3
KAu(CN)2, 1 mM (3) 3.1 42,557 13,189(86) 9.9 9.5 1.0
KAu(CN)2, 5 mM (1) 3.1 56,296 14,379(99) 9.9 20.6 1.0
K2Pt(CN)4 (1) 3.0 61,888 15,513(96) 9.2 14.1 0.9
K2HgI4 (2) 3.4 17,051 9,929(85) 8.9 31.2 1.1
K2PtCl4 (1) 3.4 47,653 10,343(92) 9.9 20.6 1.0
K2Pt(NO2)4 (7) 3.3 89,359 12,385(98) 9.5 21.1 1.0
K2Pt(NO2)4 + KAu(CN)2 (1) 3.35 47,679 11,008(95) 11.0 24.1 1.1
Na2IrCl6 (1) 3.6 21,571 6,551(70) 11.9 22.0 1.0