Table 4.

X-ray data collection and refinement statistics

McCut
Data collection statistics
Radiation source	SSRF-BL17U
Wavelength (Å)	0.9792
Resolution (Å)	28.3–1.76 (1.823–1.76)
Space group	P2 1 22 1
Unit cell parameters
a, b, c (Å)	34.4, 37.8, 128.0
α, β, γ (°)	90, 90, 90
Protein molecules in asymmetric unit	1
Unique reflections	16,910 (1626)
Completeness (%)	98.0
R amerge (%)	6.8 (11.8)
Wilson B-factor (Å2)	15.65
Refinement statistics
Resolution (Å)	1.76
R bwork (%)	0.1717 (0.1744)
R bfree (%)	0.1754 (0.1619)
RMSD
Bond lengths (Å)	0.006
Bond angles (°)	0.85
Average B-factors (Å2)	13.44
Macromolecules	11.66
Ligands	–
Solvent	24.57
Ramachandran
Most favored regions (%)	97
Additional allowed regions (%)	2.2
Disallowed regions (%)	0
Clashscore	2.22
PDB code	5 X 88

^a $R_{\text{merge}}={\sum }_{hkl}{\sum }_i|Ii\left(hkl\right)-〈I\left(hkl\right)〉|/{\sum }_{hkl}{\sum }_{i}Ii\left(hkl\right),$ where Ii(hkl) is the ith observation of reflection hkl and I(hkl) is the weighted average intensity for all observations i of reflection hkl

^b $R_{\text{work}/\text{free}}={\sum }_{hkl}\left|\left|\text{Fo}\right|-\text{k}\right|\text{Fc}\left|\left|/{\sum }_{hkl}\right|\text{Fo}\right|;$ 95 and 5% of reflections were used for R _work and R _free, respectively