8JEL

Crystal structure of TIGIT in complexed with Ociperlimab, crystal form I

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	2021-04-22
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0
Spacegroup name	P 2 21 21
Unit cell lengths	135.530, 138.310, 196.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.400 - 2.450
R-factor	0.1946
Rwork	0.192
R-free	0.24920
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.068
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]	135.530	10.000	2.600
High resolution limit [Å]	2.450	7.350	2.450
Rmerge	0.208	0.080	2.824
Rmeas	0.220	0.085	2.979
Number of reflections	136106	5381	21993
<I/σ(I)>	5.23
Completeness [%]	100.0
Redundancy	10.1
CC(1/2)	0.994	0.997	0.561

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M citric acid pH 4.6, 1 M lithium chloride, 7% PEG6000