7XAD

Crystal strucutre of PD-L1 and DBL2_02 designed protein binder

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	2020-04-23
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	85.408, 116.084, 149.605
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.060 - 3.000
R-factor	0.2689
Rwork	0.268
R-free	0.29450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3rrq
RMSD bond length	0.004
RMSD bond angle	0.702
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.060	3.110
High resolution limit [Å]	3.000	3.000
Rmerge	0.165	2.911
Number of reflections	30347	2986
<I/σ(I)>	12.8	1.1
Completeness [%]	99.4	99.7
Redundancy	13	13.1
CC(1/2)	0.999	0.436

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.2 M potassium/sodium tartrate, 0.1 M Bis Tris propane, pH 6.5 ,20 % w/v PEG 3350