Table 4. Structure solution and refinement.

Values in parentheses are for the outer shell.

Resolution range (Å)	50–2.56 (2.62–2.56)
Completeness (%)	98.7
σ Cutoff	None
No. of reflections, working set	134126 (8684)
No. of reflections, test set	7170 (434)
Final R cryst	0.180 (0.326)
Final R free	0.233 (0.338)
Cruickshank DPI	0.229
No. of non-H atoms
Protein	27516
Ligand	430
Solvent	1766
Total	29712
R.m.s. deviations
Bond lengths (Å)	0.007
Angles (°)	1.079
Average B factor (Å2)	43.34
Ramachandran plot
Most favoured (%)	96.8
Allowed (%)	99.7
PDB code	6du7