7N1D

SARS-CoV-2 YLQ peptide-specific TCR pYLQ7

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	I 4
Unit cell lengths	109.777, 109.777, 99.641
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.812 - 2.350
R-factor	0.2072
Rwork	0.204
R-free	0.27220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6xqp 4udt
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.812	2.434
High resolution limit [Å]	2.350	2.350
Number of reflections	24641	2476
<I/σ(I)>	12.84
Completeness [%]	99.9
Redundancy	7
CC(1/2)	0.994	0.832

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	295	1.2M Potassium sodium tartrate tetrahydrate, 0.1M Tris-base/ Hydrochloric acid (pH 8.0)