Table 2. Data collection and refinement statistics.

Data collection
Resolution range, Å	40.0 to 2.2
Unique reflections	44,458 (1,677)
Total no. of reflections	288,797 (4,689)
Completeness, %	93.9 (76.5)
I/σ(I)	7.8 (2.182)
Rmerge,* %	9.2 (35.1)
Refinement statistics
Resolution range, Å	40.0 to 2.2
Number of reflections	38,843
Rwork†	0.221 (0.294)
Rfree‡	0.283 (0.348)
Estimated coordinate error (Å)	0.3
rms deviations
Bonds	0.006
Angles	1.4
Dihedrals	26.2
Impropers	0.8
Ramachandran plot
Favored, %	91.2
Allowed, %	7.9
Generous, %	0.5
Disallowed, %	0.5

Numbers in parentheses refer to statistics for the highest 2.26- to 2.22-Å resolution shell.

^*R_merge for replicate reflections, R_merge = Σ|I_h — 〈I_h〉|/Σ〈I_h〉; I_h = intensity measured for reflection h; 〈I_h〉 = average intensity for reflection h calculated from replicate data.

^†Crystallographic R factor, R_cryst = Σ∥F_o| —|F_c∥/Σ|F_o|;|F_o| and|F_c| are the observed and calculated structure factor amplitudes, respectively, for those reflections not included in the R_free test set.

^‡Free R factor, R_free = Σ∥F_o| —|F_c∥/Σ|F_o| for only those reflections included in the R_free test set.