Table 2. Data-collection and refinement statistics.

Values in parentheses are for the outer shell.

Data collection
Resolution limits (Å)	40–3.5 (3.69–3.5)
No. of observed reflections	1028468 (150011)
No. of unique reflections	196243 (28170)
Completeness (%)	93.3 (93.5)
Multiplicity	5.3 (5.3)
〈I/σ(I)〉	5.2 (2.2)
Rp.i.m.† (%)	12.9 (37.4)
Refinement
Resolution range (Å)	15–3.5
Non-H protein atoms	101742
Non-H ion atoms	450
Rcryst overall‡ (%)	23.7
Rfree§ (%)	28.4
Ramachandran plot
Most favourable regions (%)	85.3
Allowed regions (%)	14.7
Generously allowed regions (%)	0.0
R.m.s. standard deviation
Bond lengths (Å)	0.002
Bond angles (°)	0.54

^† R _p.i.m. is the precision-indicating (multiplicity-weighted) R _merge (Diederichs & Karplus, 1997 ▶).

^‡ R _cryst = .

^§ R _free is the cross-validation R factor computed for a test set of 5% of the unique reflections.