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. 2012 Apr 21;68(Pt 5):584–587. doi: 10.1107/S1744309112012808

Table 1. Data-collection statistics.

Values in parentheses are for the highest resolution shell.

Wavelength (Å) 1.075
Temperature (K) 100
Space group P212121
Unit-cell parameters (Å, °) a = 56.4, b = 59.6, c = 102.1, α = β = γ = 90
Resolution (Å) 50.00–1.64 (1.70–1.64)
Total No. of reflections 542308
No. of unique reflections 43027
Multiplicity 13.2 (10.6)
Completeness (%) 95.2 (71.2)
Average I/σ(I) 25.8 (3.2)
Rmerge (%) 8.9 (55.6)

R merge = Inline graphic Inline graphic, where Ii(hkl) and 〈I(hkl)〉 represent the diffraction-intensity values of the individual measurements and the corresponding mean values, respectively.