7XYQ

Crystal strucutre of PD-L1 and the computationally designed DBL1_03 protein binder

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	2019-01-06
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97889
Spacegroup name	P 42 21 2
Unit cell lengths	97.930, 97.930, 106.110
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.970 - 2.850
R-factor	0.3006
Rwork	0.300
R-free	0.31820
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.254
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]	48.970	2.950
High resolution limit [Å]	2.850	2.850
Rmerge	0.141	3.126
Number of reflections	12591	1241
<I/σ(I)>	20.7	1.1
Completeness [%]	99.9	100
Redundancy	25.4	26.9
CC(1/2)	0.998	0.554

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		291	0.02 M nickel (II) chloride hexahydrate, 0.02 M magnesium chloride hexahydrate, 0.02 M cadmium chloride hydrate, 0.1 M sodium acetate trihydrate, pH4.5, 24% w/v polyethylene glycol monomethylether 2000