Table 1.

Data collection and refinement statistics

Data collection and MAD phasing statistics
Crystal	Se-TSN-64
Beamline	Spring-8 Taiwan beamline BL-12B2
Wavelength (Å)	Peak 0.979389	Inflection 0.979545	Remote 0.964305
Resolution (Å)	1.85	1.9	1.9
Space group	C2	C2	C2
Cell constants (Å)	a = 97.17	a = 97.54	a = 97.41
	b = 91.78	b = 92.03	b = 91.93
	c = 87.82	c = 88.17	c = 88.04
	β = 91.27°	β = 91.25°	β = 91.26°
Total reflections	322 497	152 909	172 942
Unique reflections	64 175	60 203	68 052
Completeness (%)	97.9	97.9	97.8
I/σ(I) – overall	20.3	14.9	15
I/σ(I) – last shell	4.6	2.8	3.4
Phasing power (centrics/acentrics)			1.04/0.92
Figure of merit (centrics/acentrics)			0.67/0.45
Refinement
Resolution (Å)			50–1.9
Reflections (working/test)			51 544/5 780
Rcryst/Rfree			17.46/20.93
R. M. S. bond length (Å)			0.0053
R. M. S. angles (°)			1.23
Ramachandran plot (most favored/additional allowed/generously allowed)			(90.2/9.4/0.4)
Number of atoms
Protein			4242
Water			690
Average B-factor (Å2)
Protein			24.08
Water			37.48