8JEQ

Crystal structure of Tiragolumab

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2020-11-02
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	60.720, 89.050, 104.230
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.390 - 1.960
R-factor	0.1877
Rwork	0.186
R-free	0.22190
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.900
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.17.1_3660: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.390	2.010
High resolution limit [Å]	1.960	1.960
Rmerge	0.060	0.981
Rmeas	0.063	1.029
Rpim	0.017	0.305
Total number of observations	536255	32720
Number of reflections	41248	2993
<I/σ(I)>	20.9	2.4
Completeness [%]	99.8
Redundancy	13	10.9
CC(1/2)	0.999	0.763

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	1.6 M ammonium sulfate, 0.1 M MES pH 6.5, 0.01 M cobalt chloride