9I0W

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	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-11-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.968
Spacegroup name	P 31 2 1
Unit cell lengths	72.066, 72.066, 89.048
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.246 - 2.100
Rwork	0.234
R-free	0.29950
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	2.720
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0430 (refmacat 0.4.88))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	62.410	62.410	2.160
High resolution limit [Å]	2.100	8.910	2.100
Rmerge	0.181	0.046	1.644
Rmeas	0.218	0.055	1.966
Rpim	0.118	0.031	1.063
Number of reflections	15292	249	1312
<I/σ(I)>	6	19.3	1.1
Completeness [%]	94.9	98.6	100
Redundancy	5.9	5.1	6.3
CC(1/2)	0.995	0.997	0.146

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2 M ammonium sulfate, 0.1 M Bis-Tris pH 5.5, 25% w/v PEG 3350