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. 2013 Jan 30;69(Pt 2):122–125. doi: 10.1107/S1744309112050300

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

Values in parentheses are for the highest resolution shell.

Space group P3121
Unit-cell parameters (Å) a = 125.1, b = 125.1, c = 80.9
Volume of the unit cell (Å3) 1096701.6
Resolution range (Å) 50.00–2.60 (2.60–2.69)
Total No. of reflections 205783
No. of unique reflections 24077
Completeness (%) 100.0 (100.0)
Average I/σ(I) 22.119 (5.194)
R merge (%) 11.7 (54.0)
Average multiplicity 9.0 (9.1)

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