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. 2009 Oct 30;65(Pt 11):1131–1135. doi: 10.1107/S1744309109037075

Table 1. Data-collection statistics.

Values in parentheses are for the highest resolution shell.

Space group R3
Radiation source SER-CAT 22ID, APS
Unit-cell parameters (hexagonal setting) (Å, °) a = b = 102.5, c = 97.5, α = β = 90.0, γ = 120
Temperature (K) 100
Wavelength (Å) 1.0
Oscillation range (°) 1.0
Crystal-to-detector distance (mm) 200
No. of frames 180
Resolution range (Å) 25.0–2.40 (2.49–2.40)
Total reflections 53779
Unique reflections 14925
Average redundancy 3.6
I/σ(I)〉 6.2 (2.8)
Overall B factor (Å2) 68.8
Completeness (%) 99.1 (99.8)
Rmerge (%) 11.7 (45.0)

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