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. 2012 Mar 27;68(Pt 4):432–435. doi: 10.1107/S1744309112005295

Table 1. Data-collection statistics.

Values in parentheses are for the outer shell.

Beamline PF-AR NW12A
Wavelength (Å) 1.000
Detector ADSC Quantum 210 CCD
Exposure time (s) 10
Crystal-to-detector distance (mm) 301
Oscillation angle (°) 1.0
Sweep angle (°) 0–360
Temperature (K) 100
Resolution (Å) 30.0–2.6 (2.69–2.60)
Space group P61 or P65
Unit-cell parameters (Å, °) a = 108.94, b = 108.94, c = 83.79, γ = 120
No. of molecules in unit cell (Z) 6
Matthews coefficient VM3 Da−1) 2.69
Solvent content (%) 54.24
No. of observed reflections 262611
No. of unique reflections 16401 (1217)
Multiplicity 16.0 (5.5)
Completeness (%) 93.5 (70.0)
Rmerge (%) 6.8 (45.3)
I/σ(I)〉 44.3 (1.9)

R merge = Inline graphic Inline graphic, where Ii(hkl) is the observed intensity and 〈I(hkl)〉 is the mean value of Ii(hkl).