Table 4. Structure solution and refinement.

Values in parentheses are for the outer shell.

Resolution range (Å)	55.05–3.46 (3.55–3.46)
Completeness (%)	95.5
No. of reflections, working set	35388 (2597)
No. of reflections, test set	1881 (143)
Final R cryst	0.243 (0.348)
Final R free	0.309 (0.370)
No. of non-H atoms
Protein	11880
Ligands	66
Water	0
R.m.s. deviations
Bonds (Å)	0.011
Angles (°)	1.470
Average B factors (Å2)
Protein	119.80
Ligands	96.59
Ramachandran plot
Most favored (%)	83.79
Allowed (%)	11.60
Disallowed (%)	4.60