6RPG

Structure of human Programmed cell death 1 ligand 1 (PD-L1) with inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 11.2C
Synchrotron site	ELETTRA
Beamline	11.2C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-22
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1
Spacegroup name	P 31 2 1
Unit cell lengths	75.894, 75.894, 98.205
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	54.620 - 2.700
R-factor	0.251
Rwork	0.248
R-free	0.28100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5o45
RMSD bond length	0.023
RMSD bond angle	3.018
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((DEV_3385))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.620	2.750
High resolution limit [Å]	2.699	2.700
Rmerge	0.109
Rmeas	0.124
Rpim	0.048
Number of reflections	9212	382
<I/σ(I)>	9.17
Completeness [%]	98.2
Redundancy	7.5
CC(1/2)	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M BIS-Tris pH 5.4, 0.2 M ammonium sulfate and 23 % (w/v) PEG 3350