9HRT

Structure of human PD-L1 in complex with clinically evaluated inhibitor

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-07-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9677
Spacegroup name	P 21 2 21
Unit cell lengths	50.859, 52.030, 111.318
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.180 - 2.300
R-factor	0.20945
Rwork	0.207
R-free	0.26324
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (v5.5.0110)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.180	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.160	0.890
Number of reflections	13321	1308
<I/σ(I)>	6.3
Completeness [%]	97.7
Redundancy	5.9
CC(1/2)	0.990	0.830

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2M Ammonium sulfate; 0.1 soudium cacodylate; 6.53% w/v PEG 8000