Table 4. Structure refinement.

Values in parentheses are for the outer shell.

Resolution range ()	67.42.34 (2.492.34)
Completeness (%)	99.88 (100)
No. of reflections, working set	16166 (2645)
No. of reflections, test set	862 (151)
Final R cryst	0.166 (0.206)
Final R free	0.224 (0.290)
No. of atoms
Protein	2537
Ion	8
Ligand	18
Water	74
Total	2637
R.m.s. deviations
Bonds ()	0.007
Angles ()	1.054
Ramachandran plot
Favoured (%)	98
Additionally allowed (%)	2
Outliers (%)	0
MolProbity score	1.30 [100th percentile at 2.34 0.25 resolution]