Table 1.

X-ray Diffraction, Phasing, and Model Statistics

	Data Collection
wavelength (Å)	1.54
resolution range (Å)	29.16–1.625 (1.683–1.625)
space group	I4
unit cell	57.57 Å, 57.57 Å, 58.32 Å, 90°, 90°, 90°
total no. of reflections	153737 (5953)
no. of unique reflections	12000 (1146)
multiplicity	12.8 (5.2)
completeness (%)	99.59 (95.82)
mean I/σ(I)	35.09 (4.07)
Wilson B factor (Å2)	15.32
Rmerge	0.063 (0.406)
	Phasing
no. of sulfurs
disulfide	2
methionine	1
SHELXD CC all/weak	56.6/36.17
	Refinement
Rwork, Rfree	0.167 (0.298), 0.197 (0.324)
total no. of atoms	891
no. of macromolecules	737
no. of ligands	12
no. of waters	142
no. of protein residues	94
rmsd for bonds (Å)	0.009
rmsd for angles (deg)	1.4
Ramachandran favored (%)	97
Ramachandran outliers (%)	0
Clashscore	3.37
average B factor (Å2)	17.7
macromolecules (Å2)	15.8
ligands (Å2)	18.6
solvent (Å2)	27.2
PDB entry	4XQM