Table 2. Structure solution and refinement.

Values in parentheses are for the outer shell.

Resolution range (Å)	50.00–2.10 (2.15–2.10)
Completeness (%)	99.4 (97.2)
σ Cutoff	F > 0.000σ(F)
No. of reflections, working set	67983 (4586)
No. of reflections, test set	3445 (247)
Final R cryst	0.183 (0.227)
Final R free	0.233 (0.300)
No. of non-H atoms
Protein	8672
Ligand	36
Water	560
Total	9268
R.m.s. deviations
Bonds (Å)	0.014
Angles (°)	1.440
Average B factors (Å2)
Protein	28.6
Ligand	39.7
Water	33.9
Ramachandran plot
Most favored (%)	97.7
Outliers (%)	0