Table 1. Data-collection and refinement statistics.

Values in parentheses are for the outer shell.

Data collection
Space group	I222
Unit-cell parameters (Å)	a = 122, b = 130, c = 165
Wavelength (Å)	1.0
Resolution (Å)	2.1
No. of reflections	696295
No. of unique reflections	76957
Rmerge (%)	7.60 (52.70)
Rmeas (%)	8.00 (56.10)
Rp.i.m. (%)	2.70 (18.90)
I/σ(I)	20.10 (4.20)
Completeness (%)	99.90 (100.00)
Refinement
Resolution range	20.69–2.10
No. of reflections in working set	73091
No. of reflections in test set	3865
Rcryst (%)	18.55
Rfree (%)	23.88
Average B factor (protein) (Å2)	44.68
No. of protein atoms	7506
No. of water molecules	639
R.m.s.d. from ideal geometry
Bond lengths (Å)	0.02
Bond angles (°)	1.82
Ramachandran plot
Allowed (%)	98.20 [958/976]
Generously allowed (%)	99.80 [974/976]
Disallowed (%)	0.20 [2/976]