Table 3. Data collection and processing.

Values in parentheses are for the outer shell.

Diffraction source	APS beamline 21-ID-D
Wavelength (Å)	0.97919
Temperature (K)	100
Detector	MAR Mosaic 300 mm CCD
Space group	P3
a, b, c (Å)	86.65, 86.65, 45.10
α, β, γ (°)	90.00, 90.00, 120.00
Resolution range (Å)	30.00–1.63 (1.66–1.63)
No. of unique reflections	47039 (2273)
Completeness (%)	99.9 (98.5)
Multiplicity	4.8 (4.4)
〈I/σ(I)〉	26.5 (2.9)
R r.i.m. †	0.033 (0.315)
Overall B factor from Wilson plot (Å2)	24.6

^†Estimated R _r.i.m. = R _merge[N/(N − 1)]^1/2, where N is the data multiplicity.