5IUS

Crystal structure of human PD-L1 in complex with high affinity PD-1 mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	80
Detector technology	PIXEL
Collection date	2014-04-24
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97920
Spacegroup name	P 41
Unit cell lengths	86.851, 86.851, 111.848
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.020 - 2.889
R-factor	0.2127
Rwork	0.207
R-free	0.25960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3rrq 3sbw
RMSD bond length	0.003
RMSD bond angle	0.568
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.080
High resolution limit [Å]	2.889	2.889
Number of reflections	18559
<I/σ(I)>	8.37	0.55
Completeness [%]	99.8	99.8
Redundancy	6.1	5.8
CC(1/2)	0.997

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.4	293	0.1 M bis-TRIS pH 6.4, 17% PEG MME 5000, 2 mM LiCl