Table 1. Data-collection and refinement statistics.

Values in parentheses are for the highest resolution shell.

Data collection
Wavelength (Å)	0.97929
Temperature (K)	93
Detector	ADSC Q315r
Space group	P212121
a, b, c (Å)	93.437, 104.946, 156.909
α, β, γ (°)	90.0, 90.0, 90.0
Resolution range (Å)	49.76–2.43 (2.47–2.43)
Total No. of reflections	110286
No. of unique reflections	58241
Completeness (%)	99.0 (90.7)
Multiplicity	6.8 (5.1)
〈I/σ(I)〉	10.60 (1.49)
R merge †	0.038
Overall B factor from Wilson plot (Å2)	59.5
Structure refinement
Resolution range (Å)	49.76–2.43 (2.49–2.43)
Completeness (%)	98.6 (87.0)
No. of reflections, working set	56114
No. of reflections, test set	1998
Final R cryst ‡	0.1951 (0.3339)
Final R free ‡	0.2379 (0.3871)
No. of non-H atoms
Protein	7648
Ion	2
Ligand	106
Water	135
Total	7891
R.m.s. deviations
Bonds (Å)	0.007
Angles (°)	1.035
Average B factors (Å2)
Protein	80.9
Ion	60.5
Ligand	74.1
Water	72.4
All atoms	80.0
Ramachandran plot
Most favored (%)	97.2
Allowed (%)	2.8
Outliers (%)	0.0

^† R _merge = , where 〈I(hkl)〉 is the mean of i observations I _i(hkl) of reflection hkl.

^‡ R _cryst and R _free = , where F _obs and F _calc are the observed and calculated structure factors, respectively, calculated for recorded data (R _cryst) and for 3.4% of the data omitted in refinement (R _free).