7N1C

SARS-CoV-2 RLQ peptide-specific TCR pRLQ3

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	P 21 21 21
Unit cell lengths	42.084, 101.921, 104.674
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.557 - 1.881
R-factor	0.2034
Rwork	0.201
R-free	0.23870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3tfk 3ffc
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]	46.557	1.950
High resolution limit [Å]	1.880	1.880
Number of reflections	239229	21569
<I/σ(I)>	18.6
Completeness [%]	99.8
Redundancy	6.4
CC(1/2)	0.996	0.937

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	295	0.2M Calcium acetate, 0.1M Imidazole (pH 8.0), 17% (w/v) PEG 1500