6PV9

Human PD-L1 bound to a macrocyclic peptide which blocks the PD-1/PD-L1 interaction

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-07-30
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.987
Spacegroup name	P 64
Unit cell lengths	114.949, 114.949, 33.778
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.600 - 2.000
R-factor	0.1942
Rwork	0.191
R-free	0.22570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	In-house apo structure
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.600	2.050
High resolution limit [Å]	2.000	2.000
Number of reflections	17713	1201
<I/σ(I)>	35
Completeness [%]	99.5
Redundancy	5.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	20% PEG3000, 0.1 M sodium citrate, pH 5.5