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. 2011 Sep 29;67(Pt 10):1250–1252. doi: 10.1107/S1744309111027989

Table 1. Data-collection statistics.

Values in parentheses are for the highest resolution shell.

X-ray source Pohang Light Source beamline BL-6C
X-ray wavelength (Å) 1.23985
Temperature (K) 100
Space group P212121
Unit-cell parameters (Å) a = 73.96, b = 103.73, c = 114.71
Resolution range (Å) 20–2.30 (2.34–2.30)
Total/unique reflections 280647/40051
Rmerge (%) 12.7 (45.9)
Data completeness (%) 100.0 (99.9)
Multiplicity 7.0 (6.5)
Average I/σ(I) 18.8 (3.8)

R merge = Inline graphic Inline graphic, where I i(hkl) is the intensity of the ith measurement of reflection hkl and 〈I(hkl)〉 is the mean value of I i(hkl) for all i measurements.