9INU

Novel PD-L1/VISTA dual inhibitor as potential immunotherapy agents

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-01-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.978530
Spacegroup name	P 2 21 21
Unit cell lengths	32.096, 83.603, 96.838
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.420 - 2.700
R-factor	0.2483
Rwork	0.244
R-free	0.28710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5c3t
RMSD bond length	0.004
RMSD bond angle	0.721
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	AutoSol
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.420	2.797
High resolution limit [Å]	2.700	2.700
Rmerge	0.222	0.911
Number of reflections	94058	9235
<I/σ(I)>	17
Completeness [%]	99.9
Redundancy	12.3
CC(1/2)	0.998	0.955

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289.15	Tris, potassium sodium tartrate tetrahydrate