Table 1. Data-processing and refinement statistics.

Values in parentheses are for the highest resolution shell.

Data processing
Wavelength (Å)	1.5418
Space group	C2221
Unit-cell parameters (Å)	a = 60.1, b = 63.8, c = 265.2
Resolution (Å)	50–1.85 (1.88–1.85)
Total reflections	272067
Unique reflections	43892 (2060)
Completeness (%)	99.3 (93.4)
〈I/σ(I)〉	24.9 (2.5)
〈Multiplicity〉	6.2 (3.3)
Rmerge†	0.068 (0.379)
Refinement
No. of molecules in asymmetric unit	2
No. of atoms	4741
No. of water molecules	416
Resolution	50–1.85 (1.90–1.85)
Unique reflections	43738 (3020)
Completeness (%)	99.2 (92.8)
R.m.s.d. bonds (Å)	0.010
R.m.s.d. angles (°)	1.50
〈Isotropic B factor〉 (Å2)
Protein	20.8
Ligand	20.3
Solvent	28.8
Ramachandran plot‡
Favoured (%)	98.3
Allowed (%)	100
Rwork§	17.6
Rfree¶	21.6
PDB code	3tah

^† R _merge = .

^‡As calculated by MolProbity (Chen et al., 2010 ▶).

^§ R _work = .

^¶Calculated as for R _work using 5% of the diffraction data that was excluded during refinement (2197 reflections).