Table 4. Structure solution and refinement.

Values in parentheses are for the outer shell.

Resolution range (Å)	126.31–2.58 (2.65–2.58)
Completeness (%)	97.5
σ Cutoff	F > 0.0σ(F)
No. of reflections, working set	61972 (3242)
No. of reflections, test set	3237 (149)
Final R cryst	0.214 (0.544)
Final R free	0.250 (0.583)
No. of non-H atoms
Protein	9613
Ligand	37
Water	136
Total	9786
R.m.s. deviations
Bonds (Å)	0.008
Angles (°)	1.605
Average B factors (Å2)
Protein	62.2
Ligand	50.2
Water	59.9
Ramachandran plot
Most favored (%)	97.0
Allowed (%)	3.0
PDB code	7b51