Table 2. Structure solution and refinement.

Values in parentheses are for the outer shell.

Resolution range (Å)	50.00–1.78 (1.83–1.78)
Completeness (%)	100.0 (96.7)
No. of reflections, working set	28870 (2782)
No. of reflections, test set	1997 (189)
Final R cryst (%)	18.5 (26.0)
Final R free (%)	22.5 (32.1)
No. of non-H atoms
Protein	2762
Ligand	44
Water	157
Total	2963
R.m.s. deviations
Bonds (Å)	0.007
Angles (°)	1.047
Average B factors (Å2)
Protein	25.5
Ligand	26.0
Water	33.1
Ramachandran plot
Most favoured (%)	96.92
Allowed (%)	2.46