Table 4. Structure refinement.

Resolution range (Å)	46.0500–1.7200 (1.7400–1.7200)
Completeness (%)	99.5
σ Cutoff	F > 1.330σ(F)
No. of reflections, working set	90727 (2976)
No. of reflections, test set	4907 (149)
Final R cryst	0.196 (0.4449)
Final R free	0.224 (0.4695)
No. of non-H atoms
Total	5755
Protein	5487
Ions	2
Solvent	266
R.m.s. deviations
Bond lengths (Å)	0.013
Angles (°)	1.177
Average B factors (Å2)
Protein	42.58
Ions	34.29
Solvent	43.23
Ramachandran plot
Most favoured (%)	97.45
Allowed (%)	2.55