9IJT

Crystal Structure of human Programmed cell death 1 ligand 1 (PD-L1) bound to Small molecule inhibitor Compound-10

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-03-01
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.953732
Spacegroup name	P 21 21 21
Unit cell lengths	40.717, 85.206, 161.157
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.440 - 2.050
Rwork	0.231
R-free	0.26010
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.504
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.440	2.110
High resolution limit [Å]	2.050	2.050
Number of reflections	36207	2750
<I/σ(I)>	24.6
Completeness [%]	100.0
Redundancy	13.2
CC(1/2)	0.999	0.958

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	299	0.1M Tris pH 8.5, 0.1M Magnesium chloride, 25% PEG 4000