7N1F

SARS-CoV-2 YLQ peptide-specific TCR pYLQ7 binds to YLQ-HLA-A2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-03-14
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	225.329, 49.067, 91.451
Unit cell angles	90.00, 91.81, 90.00

Refinement procedure

Resolution	48.630 - 2.393
R-factor	0.199
Rwork	0.197
R-free	0.23570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6xqp 4udt 6vr5
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.630	2.480
High resolution limit [Å]	2.390	2.390
Number of reflections	133860	12215
<I/σ(I)>	9.4
Completeness [%]	99.0
Redundancy	3.4
CC(1/2)	0.993	0.938

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	295	in 0.1M Ammonium sulfate, 0.3M Sodium formate, 0.1M Sodium acetate (pH 5.0), 3% (w/v) Gama-PGA (Na+ form, LM), 3% (w/v) PEG 20000