Table 3. Data collection and processing.

Values in parentheses are for the outer shell.

Diffraction source	X29, NSLS
Wavelength (Å)	0.9796
Temperature (K)	100
Detector	ADSC Quantum 315 CCD
Crystal-to-detector distance (mm)	400
Rotation range per image (°)	1
Total rotation range (°)	360
Exposure time per image (s)	1
Space group	C2221
a, b, c (Å)	55.49, 119.63, 168.54
α, β, γ (°)	90, 90, 90
Resolution range (Å)	43.22–2.70 (2.78–2.70)
No. of unique reflections	15804 (1549)
Completeness (%)	99.73 (99.17)
Multiplicity	13.5 (8.9)
〈I/σ(I)〉	29.74 (2.68)
Overall B factor from Wilson plot (Å2)	76.61
R merge (%)	5.718 (77.21)
R r.i.m. (%)	1.606 (26.68)
CC1/2	1.000 (0.897)