Table 3. Data collection and processing.

Values in parentheses are for the outer shell.

	Native	SeMet derivative
Diffraction source	Beamline 17U1, SSRF	Beamline 17U1, SSRF
Wavelength (Å)	0.97918	0.97918
Temperature (K)	77	77
Detector	EIGER 16M	EIGER 16M
Crystal-to-detector distance (mm)	350	450
Rotation range per image (°)	0.5	1.0
Total rotation range (°)	360	360
Exposure time per image (s)	0.5	0.5
Space group	P3112	P3112
a, b, c (Å)	81.53, 81.53, 98.45	81.63, 81.63, 98.80
α, β, γ (°)	90, 90, 120	90, 90, 120
Resolution range (Å)	40.77–2.89	40.49–2.76
Total No. of reflections	87749	182832
No. of unique reflections	8538	9900
Completeness (%)	100.0 (100)	99.9 (100)
Multiplicity	10.3 (10.9)	18.5 (16.0)
〈I/σ(I)〉	41.4 (2.7)	19.4 (2.3)
CC1/2	0.995 (0.870)	0.999 (0.635)
R merge (%)	4.9 (86.2)	12.4 (158.0)