Table 2. X-ray data-collection and refinement statistics.

Values in parentheses are for the highest resolution shell.

Space group	P21
Crystal solvent content (%)	43
No. of molecules in asymmetric unit	4
Data collection
Unit-cell parameters (Å, °)	a = 69.77, b = 85.41, c = 102.1, β = 106.8
Resolution range (Å)	20–3.0 (3.1–3.0)
No. of observations	103189
No. of unique reflections	20419
Completeness (%)	88.4 (87.0)
Rmerge†	0.095 (0.193)
Refinement statistics
No. of refined reflections	18918 (1193)
No. of reflections in Rfree set	998 (70)
Resolution range (Å)	10–3.0 (3.07–3.0)
No. of residues	1161
Rcryst‡	0.227 (0.239)
Rfree§	0.283 (0.381)
R.m.s. deviations
Bonds (Å)	0.018
Angles (°)	2.1
Backbone dihedral angle distribution (%)
Allowed	95.3
Generously allowed	4.7
Disallowed	0.0
〈B〉 (Å2)	38.4

^† R _merge = .

^‡ R _cryst = − , where F _obs and F _calc are the observed and calculated structure factors, respectively

^§ R _free is computed for 5% of reflections that were randomly selected and omitted from the refinement.