Table 4. Structure solution and refinement.

Values in parentheses are for the outer shell.

Resolution range (Å)	50–1.90 (1.946–1.897)
Completeness (%)	97.7
No. of reflections, working set	71978 (5312)
No. of reflections, test set	3807 (284)
Final R cryst	0.198 (0.298)
Final R free	0.227 (0.336)
No. of non-H atoms
Protein	7477
Ion	4
Ligand	0
Water	215
Total	7696
R.m.s. deviations
Bonds (Å)	0.020
Angles (°)	2.082
Average B factors (Å2)
Protein	41.1
Ion	29.5
Ligand	0.0
Water	36.3
Ramachandran plot
Most favoured (%)	90.9
Allowed (%)	9.1