7CGW

Complex structure of PD-1 and tislelizumab Fab

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	93
Detector technology	PIXEL
Collection date	2018-06-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979
Spacegroup name	C 2 2 21
Unit cell lengths	142.638, 145.572, 175.549
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	101.880 - 3.200
R-factor	0.2203
Rwork	0.218
R-free	0.25400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Tislelizumab Fab
RMSD bond length	0.006
RMSD bond angle	1.095
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	101.880	3.370
High resolution limit [Å]	3.200	3.200
Number of reflections	30470	4399
<I/σ(I)>	11.8	2.4
Completeness [%]	99.9
Redundancy	11.4
CC(1/2)	0.994	0.673

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	293	0.1M Citric acid, pH4.0, 1M LiCl and 20% PEG6000