Table 2. Structure solution and refinement.

Values in parentheses are for the outer shell.

Resolution range (Å)	48.13–2.763 (2.862–2.763)
Completeness (%)	95.2
No. of reflections, working set	26875 (2491)
No. of reflections, test set	1415 (131)
Final R cryst	0.186 (0.2805)
Final R free	0.228 (0.3497)
No. of non-H atoms
Total	7753
Protein	7521
Ligand	103
Solvent	129
R.m.s. deviations
Bonds (Å)	0.011
Angles (°)	0.56
Average B factors (Å2)
Overall	42.90
Protein	42.70
Ligand	62.60
Ramachandran plot
Most favoured (%)	94
Allowed (%)	0.32