Table 1.

Data collection and refinement statistics

Data collection
Space group	P21
Molecules in asymmetric unit	2
Unit cell parameters (Å, °)	a =  56.14, b =  50.44, c =  57.77, α = γ = 90.00, β = 117.21
Resolution range (Å)	51.4–2.3
No. of unique reflections	12,955
Solvent content (%)	41
Rmerge (%)	11 (31)
Rpim (%)	10 (28)
Mean I/σ(I)	5.2 (3.0)
Completeness (%)	99 (99)
Redundancy	3.5 (3.6)
Refinement summary
Resolution (Å)	22.4 (39)
R­factor (%)	26.4 (37)
Free R­factor (%)	0.008
R.m.s.d. bond lengths (Å)	1.285
R.ms.d. bond angles (°)	4406
No. of atoms in asymmetric unit	22.4 (39)
Ramachandran plot:
Preferred (%)	99.2
Allowed (%)	0.8
Outliers (%)	0.0
PDB code	2XGA

$R_{\text{merge}}=\frac{{\sum }_{hkl}{\sum }_j\left|I_{hkl,j}-\langle I_{hkl}\rangle \right|}{{\sum }_{hkl}{\sum }_j{I}_{hkl,j}}{R}_{\text{p}\text{.i}\text{.m}}=\frac{{\sum }_{hkl}\sqrt{\frac{1}{n-1}}{\sum }_{j=1}^n{\sum }_j\left|I_{hkl,j}-\langle I_{hkl}\rangle \right|}{{\sum }_{hkl}{\sum }_j{I}_{hkl,j}}$

where I_hkl,j is the jth observation of reflection hkl and 〈I_hkl,j〉 is the mean intensity for all observations of I_hkl. n is the multiplicity of the reflection hkl.