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. 2009 Dec 25;66(Pt 1):99–101. doi: 10.1107/S174430910905088X

Table 1. X-ray diffraction data and processing statistics.

Values in parentheses are for the highest resolution shell.

Space group C2221
Unit-cell parameters (Å) a = 54.7, b = 72.4, c = 102.2
Resolution range (Å) 50.00–2.30 (2.36–2.30)
Total No. of reflections 92739
No. of unique reflections 12376
Average redundancy 7.5 (7.2)
Completeness (%) 99.8 (98.3)
Rmerge (%) 7.0 (30.0)
Average I/σ(I) 35.8 (8.9)

R merge = Inline graphic Inline graphic, where I i(hkl) is the observed intensity and 〈I(hkl)〉 is the average intensity from multiple measurements.