Skip to main content
. 2012 Mar 27;68(Pt 4):440–442. doi: 10.1107/S1744309112005829

Table 1. Data-collection and refinement statistics.

Values in parentheses are for the highest resolution shell.

X-ray wavelength (Å) 1.0629
Detector ADSC Quantum 270 CCD detector
No. of crystals 1
Crystal-to-detector distance (mm) 240
Rotation range per frame (°) 1
Total rotation range (°) 300
Space group P21
Unit-cell parameters (Å, °) a = 59.30, b = 178.56, c = 109.23, β = 102.97
Resolution range (Å) 50–2.61 (2.70–2.61)
Total/unique reflections 420103/66140
Completeness (%) 100 (100)
Mean I/σ(I) 36.2 (5.4)
Rmerge (%) 8.0 (37.3)
Mosaicity (°) 0.3
Multiplicity 6.4 (6.3)

R merge = Inline graphic Inline graphic, where I(hkl) is the intensity of reflection hkl, Inline graphic is the sum over all reflections and Inline graphic is the sum over i measurements of reflection hkl.