8JEO

Crystal structure of TIGIT in complexed with Tiragolumab

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL45XU
Synchrotron site	SPring-8
Beamline	BL45XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-04-21
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	I 4
Unit cell lengths	214.161, 214.161, 66.885
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.810 - 2.060
R-factor	0.174
Rwork	0.172
R-free	0.20550
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.912
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.17.1_3660: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	151.400	10.000	2.180
High resolution limit [Å]	2.060	6.130	2.060
Rmerge	0.219	0.088	1.633
Rmeas	0.239	0.096	1.791
Number of reflections	94450	6978	29063
<I/σ(I)>	6.2
Completeness [%]	99.5
Redundancy	6.2
CC(1/2)	0.991	0.994	0.416

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M ammonium citrate tribasic pH 7.4, 14% PEG 3350