7N1E

SARS-CoV-2 RLQ peptide-specific TCR pRLQ3 binds to RLQ-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	P 1 21 1
Unit cell lengths	52.799, 68.150, 148.598
Unit cell angles	90.00, 94.61, 90.00

Refinement procedure

Resolution	49.373 - 2.300
R-factor	0.2146
Rwork	0.212
R-free	0.25820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3tfk 3ffc 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]	49.400	2.380
High resolution limit [Å]	2.300	2.300
Number of reflections	159246	15350
<I/σ(I)>	12.6
Completeness [%]	99.2
Redundancy	3.4
CC(1/2)	0.952	0.753

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	295	0.2M Ammonium sulfate, 0.1M MES (pH 6.0), 12% (w/v) PEG 4000