7XAE

Crystal strucutre of PD-L1 and 3ONJA protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-01-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97852
Spacegroup name	I 41
Unit cell lengths	103.079, 103.079, 173.710
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.560 - 3.440
R-factor	0.2488
Rwork	0.248
R-free	0.26170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3rrq
RMSD bond length	0.003
RMSD bond angle	0.643
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.13-2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.550
High resolution limit [Å]	3.430	3.430
Rmerge	0.167	2.045
Number of reflections	12131	12131
<I/σ(I)>	18.797
Completeness [%]	82.5
Redundancy	13.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M Sodium citrate tribasic dihydrate pH 5.5, 16% w/v Polyethylene glycol 8,000