9WFT

Crystal structure of A0PKV-1 TCR in complex with HLA-A*11:01 bound to G12V-9 peptide(VVGAVGVGK)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-11-01
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.978610
Spacegroup name	P 1
Unit cell lengths	43.241, 54.569, 98.893
Unit cell angles	96.23, 94.06, 112.50

Refinement procedure

Resolution	48.790 - 3.090
R-factor	0.189
Rwork	0.184
R-free	0.27320
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.030
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (v1.21-5207)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.790	3.280
High resolution limit [Å]	3.090	3.090
Rmerge	0.162	0.430
Rmeas	0.229	0.608
Number of reflections	27466	4474
<I/σ(I)>	4.96	1.91
Completeness [%]	91.1	92.9
Redundancy	1.7
CC(1/2)	0.953	0.687

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.2	291	0.1 M Tris pH 8.2, 22% w/v Polyethylene glycol 3350