Table 4. Structure refinement.

Resolution range (Å)	40.97–2.00 (2.05–2.00)
Completeness (%)	99.7
σ Cutoff	F > 1.340σ(F)
No. of reflections, working set	71619 (4956)
No. of reflections, test set	1980 (123)
Final R cryst	0.193 (0.260)
Final R free	0.232 (0.299)
No. of non-H atoms
Protein	7923
Ion	4
Ligand	68
Water	480
Total	8386
R.m.s. deviations
Bond lengths (Å)	0.007
Angles (°)	0.880
Average B factors (Å2)
Protein	49.0
Ion	57.3
Ligand	59.5
Water	46.8
Clashscore	3.06
Ramachandran plot
Most favored (%)	98.33
Allowed (%)	1.57