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. 2011 Jul 20;67(Pt 8):917–921. doi: 10.1107/S1744309111021385

Table 1. Data-collection statistics.

Values in parentheses are for the highest resolution shell.

No. of crystals 1
Beamline MX14.2, BESSY
Wavelength (Å) 0.918
Detector MAR Mosaic 225
Crystal-to-detector distance (mm) 250
Rotation range per image (°) 0.5
Total rotation range (°) 200
Exposure time per image (s) 6
Resolution range (Å) 50.00–2.40 (2.44–2.40)
Space group P21
Unit-cell parameters (Å, °) a = 82.9, b = 60.6, c = 135.4, α = γ = 90.0, β = 96.5
Total No. of measured intensities 279104 (9115)
No. of unique reflections 56096 (2532)
Multiplicity 4.9 (3.6)
Average I/σ(I) 23.1 (2.8)
Completeness (%) 98.8 (90.1)
Rmerge (%) 6.3 (35.1)
Overall B factor from Wilson plot (Å2) 43.4

The criterion used for observed reflections was I/σ(I) > 0.

R merge = 100 × Inline graphic Inline graphic, where I i(hkl) is an individual intensity of the ith observation of reflection hkl and 〈I(hkl)〉 is the average intensity of reflection hkl with summation over all data.