7C88

Complex structure of JS003 and PD-L1

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	2019-10-10
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97890
Spacegroup name	P 1 21 1
Unit cell lengths	107.984, 65.639, 107.529
Unit cell angles	90.00, 114.47, 90.00

Refinement procedure

Resolution	50.000 - 1.997
R-factor	0.224
Rwork	0.222
R-free	0.25760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5grj
RMSD bond length	0.006
RMSD bond angle	0.939
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX ((1.16_3549: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	4.310
High resolution limit [Å]	1.996	2.000
Number of reflections	86422	93009
<I/σ(I)>	1.74
Completeness [%]	92.6
Redundancy	5.3
CC(1/2)	0.990	0.872

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.1M Na HEPES 7.0, 15% w/v PEG 20000