Table 3. Data collection and processing.

Values in parentheses are for the outer shell.

Diffraction source	Rigaku ultraX 18 Cu Kα rotating anode
Wavelength (Å)	1.5418
Temperature (K)	100
Detector	MAR345 image-plate system
Crystal-to-detector distance (mm)	200
Rotation range per image (°)	1
Total rotation range (°)	198
Exposure time per image (s)	360
Space group	P41212 or P43212
Unit-cell parameters (Å, °)	a = b = 169.45, c = 192.23, α = β = γ = 90
Mosaicity (°)	0.30
Resolution range (Å)	96.12–2.50 (2.64–2.50)
Total No. of reflections	1250638 (142201)
No. of unique reflections	96842 (13946)
Completeness (%)	100.0 (99.9)
Multiplicity	12.9 (10.2)
〈I/σ(I)〉	12.5 (2.5)
R meas	0.145 (1.013)
R merge	0.139 (0.963)
Overall B factor from Wilson plot (Å2)	31.8