Table 4. Data collection and processing.

Values in parentheses are for the outer shell.

Diffraction source	I02, Diamond Light Source
Wavelength (Å)	0.9797
Temperature (K)	100
Detector	Pilatus 6M
Crystal-to-detector distance (mm)	340.75
Rotation range per image (°)	0.2
Total rotation range (°)	180
Space group	P21212 or P212121
a, b, c (Å)	59.32, 65.35, 95.05
α, β, γ (°)	90, 90, 90
Mosaicity (°)	0.86
Resolution range (Å)	30.90–1.90 (1.94–1.90)
Total No. of reflections	159233
No. of unique reflections	29180
Completeness (%)	98.1 (97.2)
Multiplicity	5.5 (5.3)
〈I/σ(I)〉	13.8 (3.0)
R meas †	0.065 (0.526)
Overall B factor from Wilson plot (Å2)	35.3

^† R _meas = , where N(hkl) is the multiplicity of reflection hkl.