Table 1.

X-ray data statistics and model refinement parameters

Diffraction data
X-ray source	I02, Diamond (Didcot)
Detector	ADSC Quantum 315
Wavelength (Å)	0.9796
Spacegroup	P21212
Unit cell	a = 121.70 Å, b = 158.21 Å, c = 60.46 Å
Molecules a.u./solvent content	2/44%
Resolution (Å)	19.8–2.4 (2.45–2.40)
Unique reflections	45313 (2670)
Rsym (I) (%)	9.7 (58.0)
I/σ (I)	14.43 (3.31)
Multiplicity	4.86 (4.82)
Completeness (%)	97.2 (96.9)
Model statistics
R-factor/Rfree (%)*	17.4/21.3
Nr protein residues/solvent atoms	1126/471†
rmsd bond/angle (°)	0.007/1.193

^*The R-free set comprised 1165 reflections corresponding to 2.6% of the total data.

^†Solvent atoms include those of the ordered buffer components hexaoxaicosane-diol, citrate, di(hydroxyethyl)ether, and glycerol.