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. 2014 Aug 27;70(Pt 9):1224–1227. doi: 10.1107/S2053230X14014691

Table 3. Data collection and processing.

Values in parentheses are for the outer shell.

Diffraction source Synchrotron
Wavelength (Å) 0.972400
Temperature (°C) −173
Detector ADSC
Crystal-to-detector distance (mm) 458.842
Rotation range per image (°) 2.0
Total rotation range (°) 182
Exposure time per image (s) 0.9
Space group P41212
a, b, c (Å) 115.351, 115.351, 123.663
α, β, γ (°) 90.000, 90.000, 90.000
Mosaicity (°) 0.185
Resolution range (Å) 49.27–3.71
Total No. of reflections 130664
No. of unique reflections 9350
Completeness (%) 99.7 (99.4)
I/σ(I)〉 27.56 (10.57)
R meas (%) 6.4 (27.6)
Overall B factor from Wilson plot (Å2) 90.178
Twinning analysis
 Statistics independent of twin laws
  〈I 2〉/〈I2 2.204
  〈F2/〈F 2 0.775
  〈|E 2 − 1|〉 0.759
  〈|L|〉, 〈L 2 0.476, 0.307
 Multivariate Z-score L-test 1.082