5O45

Structure of human PD-L1 in complex with inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-03-16
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9184
Spacegroup name	P 21 21 21
Unit cell lengths	31.814, 53.682, 80.926
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.735 - 0.990
R-factor	0.1136
Rwork	0.112
R-free	0.13670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5c3t
RMSD bond length	0.020
RMSD bond angle	1.760
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.735	1.025
High resolution limit [Å]	0.990	0.990
Rmerge	0.033	0.887
Number of reflections	73554
<I/σ(I)>	19.7
Completeness [%]	94.3
Redundancy	6.7
CC(1/2)	0.998	0.723

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M imidazole malate (pH 8.5) 27% PEG 10000