8ALX

Structure of human PD-L1 in complex with inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-02-18
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.0
Spacegroup name	C 2 2 21
Unit cell lengths	56.345, 65.473, 78.591
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.710 - 1.100
R-factor	0.118
Rwork	0.117
R-free	0.13600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5c3t
Data reduction software	XDS
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER
Refinement software	PHENIX (1.15.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.070	1.160
High resolution limit [Å]	1.100	1.100
Rmerge	0.047	0.299
Number of reflections	58363	7707
<I/σ(I)>	16.3
Completeness [%]	98.6
Redundancy	5.7
CC(1/2)		0.894

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	1.4 M sodium acetate trihydrate; 0.1 M sodium cacodylate pH 6.5