Table 4. Structure refinement.

Values in parentheses are for the highest resolution shell.

Resolution range (Å)	50–2.00 (2.05–2.00)
Completeness (%)	99.8
σ Cutoff	F > 0.0σ(F)
No. of reflections, working set	38831 (2676)
No. of reflections, test set	1949 (140)
Final R cryst	0.173 (0.236)
Final R free	0.210 (0.288)
No. of non-H atoms
Protein	3478
Water	266
Total	3744
R.m.s. deviations
Bond lengths (Å)	0.015
Angles (°)	1.296
Average B factors (Å2)
Overall	39.98
Protein	39.80
Water	42.28
Ramachandran plot
Favored regions (%)	98
Additionally allowed (%)	2