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. 2014 Aug 27;70(Pt 9):1244–1248. doi: 10.1107/S2053230X14015908

Table 3. Data collection and processing.

Values in parentheses are for the outer shell.

Data collection OsMDHAR
Diffraction source BL-5C, PAL
Wavelength (Å) 0.97954
Temperature (K) 100
Detector ADSC Q315r
Crystal-to-detector distance (mm) 260
Rotation range per image (°) 1
Total rotation range (°) 200
Exposure time per image (s) 1
Space group P41 21 2
Unit-cell parameters (Å, °) a = b = 81.89, c = 120.4, α, β, γ = 90
Mosaicity (°) 0.41
Resolution range (Å) 48.64–1.90 (2.00–1.90)
Total No. of reflections 492252 (71239)
No. of unique reflections 33187 (4751)
Completeness (%) 99.9 (100.0)
Multiplicity 14.8 (15.0)
I/σ(I)〉 16.7 (7.4)
R r.i.m. 0.126 (0.447)
Overall B factor from Wilson plot (Å2) 19.4

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