Table 1. Data-collection and structure-refinement statistics.

Values in parentheses are for the highest resolution shell.

Data collection
Space group	P21212
Unit-cell parameters (Å)	a = 69.81, b = 102.13, c = 46.62
Observations	55117 (5586)
Unique reflections	5978 (588)
Resolution (Å)	57.64–3.20 (3.31–3.20)
Completeness (%)	100 (100)
Rmerge† (%)	20.0 (41.4)
〈I/σ(I)〉	18.6 (8.8)
Redundancy	9.2 (9.5)
Refinement statistics
Resolution (Å)	57.64–3.20 (3.41–3.20)
Reflections	5978 (994)
Total atoms	2946
Rwork‡ (%)	24.8 (26.8)
Rfree§ (%)	27.1 (32.4)
Average B factor (Å2)	9.14
R.m.s. deviations
Bond lengths (Å)	0.008
Bond angles (°)	1.7

^† R _merge = , where 〈I(hkl)〉 is the mean intensity of the set of i equivalent reflections.

^‡ R _work = , where F _obs and F _calc are the observed and calculated structure-factor amplitudes, respectively.

^§The R _free value was calculated with a random 5% subset of all reflections that were excluded from the refinement.