Table 4. Structure-refinement statistics.

Values in parentheses are for the highest resolution shell.

Resolution range (Å)	19.9–1.42 (1.42–1.40)
Completeness (%)	100.0 (99.8)
No. of reflections, working set	174374
No. of reflections, test set	1698
Estimated twinning fraction	0.060 for k, h, −l
Final R cryst	0.162
Final R free	0.183
No. of non-H atoms
Protein	4869
Ligand	14
Water	1261
Total	6144
R.m.s. deviations
Bonds (Å)	0.011
Angles (°)	1.088
Average B factors (Å2)
Protein	17.7
Ligand	52.4
Water	39.3
Ramachandran plot
Favoured regions (%)	97.3
Additionally allowed (%)	2.5