Table 4. Structure refinement.

Values in parentheses are for the outer shell.

Resolution range (Å)	47.47–3.15 (3.232–3.150)
Completeness (%)	99.7
No. of reflections, working set	37978 (2771)
No. of reflections, test set	2006 (144)
Final R cryst	0.217 (0.365)
Final R free	0.254 (0.428)
No. of non-H atoms
Protein	12237
Ion	6
Total	12243
R.m.s. deviations
Bond lengths (Å)	0.012
Angles (°)	1.643
Average B factors (Å2)
Protein	106.2
Ion	89.4
Ramachandran plot
Favored regions (%)	91.2
Additionally allowed (%)	5.7
Outliers (%)	3.0