8YE4

The complex of TCR NYN-I and HLA-A24 bound to SARS-CoV-2 Spike448-456 peptide NYNYLYRLF

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17B1
Synchrotron site	SSRF
Beamline	BL17B1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-01-27
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	69.002, 148.096, 196.213
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.980 - 3.200
R-factor	0.2681
Rwork	0.266
R-free	0.30980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AlphaFold
RMSD bond angle	13.872
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((1.21_5207: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.370	3.360
High resolution limit [Å]	3.200	3.200
Number of reflections	34048	4447
<I/σ(I)>	11
Completeness [%]	99.9	99.9
Redundancy	7
CC(1/2)	0.991	0.742

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	287	8% Tacsimate 7.0, 20% PEG3350