Table 1. Data-collection statistics.

Values in parentheses are for the highest resolution shell.

Wavelength (Å)	1.0
Temperature (K)	100
Space group	P21
Unit-cell parameters (Å, °)	a = 46.4, b = 120.6, c = 86.9, β = 95.7
Resolution (Å)	50–2.1 (2.18–2.10)
Total No. of reflections	334105 (26390)
No. of unique reflections	53287 (5075)
Redundancy	6.27 (5.20)
Completeness (%)	97.2 (95.7)
Average I/σ(I)	13.9 (2.70)
Rmerge† (%)	11.1 (55.1)

^† R _merge = , where I _i(hkl) and 〈I(hkl)〉 represent the diffraction-intensity values of the individual measurements and the corresponding mean values, respectively.