8JEN

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

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 PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	100.320, 79.350, 173.690
Unit cell angles	90.00, 101.67, 90.00

Refinement procedure

Resolution	49.120 - 2.710
R-factor	0.2214
Rwork	0.218
R-free	0.28930
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.094
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]	170.100	10.000	2.870
High resolution limit [Å]	2.710	8.130	2.710
Rmerge	0.171	0.042	1.094
Rmeas	0.205	0.051	1.315
Number of reflections	72920	2823	11435
<I/σ(I)>	6.37
Completeness [%]	99.8
Redundancy	3.3
CC(1/2)	0.990	0.997	0.557

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M sodium citrate tribasic dihydrate pH 5.2, 17% PEG 20000