Table 3. Data collection and processing.

Values in parentheses are for the outer shell.

Diffraction source	Beamline BL-1A, Photon Factory
Wavelength (Å)	1.1000
Temperature (K)	100
Detector	Dectris EIGER X 4M
Crystal-to-detector distance (mm)	92.260
Rotation range per image (°)	1
Total rotation range (°)	180
Exposure time per image (s)	10
Space group	P43212
a, b, c (Å)	69.03, 69.03, 120.86
α, β, γ (°)	90, 90, 90
Mosaicity (°)	0.138
Resolution range (Å)	48.86–2.00 (2.05–2.00)
Total No. of reflections	258157 (12621)
No. of unique reflections	20481 (1056)
Completeness (%)	100.0 (100.0)
Multiplicity	12.5 (13.4)
〈I/σ(I)〉	34.4 (15.0)
R merge †	0.048 (0.164)
R r.i.m. ‡	0.051 (0.177)
R p.i.m. §	0.019 (0.067)
Overall B factor from Wilson plot (Å2)	19.354

^†R_merge = , where I(hkl) is the intensity of reflection hkl.

^‡R_r.i.m. = , where N(hkl) is the data multiplicity.

^§R_p.i.m. = .