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. 2011 Dec 24;68(Pt 1):32–36. doi: 10.1107/S1744309111045386

Table 1. Data-collection statistics.

Values in parentheses are for the highest resolution shell.

Space group P21212
Unit-cell parameters (Å, °) a = 255.98, b = 77.09, c = 117.97, α = β = γ = 90
Matthews coefficient3 Da−1) 3.67, 2.94, 2.45, 2.10
Solvent content (%) 66.48, 58.09, 49.71, 41.33
Temperature (K) 100
Detector R-AXIS IV++
Wavelength (Å) 1.5418
Crystal-to-detector distance (mm) 200
Resolution (Å) 50.0–2.45 (2.54–2.45)
Unique reflections 86797 (8078)
Multiplicity 5.0 (4.6)
I/σ(I)〉 13.3 (4.4)
Completeness (%) 99.1 (93.6)
Rmerge (%) 10.5 (42.8)
Overall B factor from Wilson plot (Å2) 43.93

Values are given for four, five, six and seven molecules in the crystal asymmetric unit, respectively.

R merge(I) = Inline graphic Inline graphic. 〈I(hkl)〉 is the average intensity of the i observations of reflection hkl.