7N1A

SARS-CoV-2 YLQ peptide binds to 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 32 1 2
Unit cell lengths	85.069, 85.069, 214.213
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.318 - 2.065
R-factor	0.199
Rwork	0.197
R-free	0.24070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	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]	43.318	2.140
High resolution limit [Å]	2.065	2.065
Rmerge	0.141
Number of reflections	558646	56058
<I/σ(I)>	17.8
Completeness [%]	100.0
Redundancy	10.2
CC(1/2)	0.991	0.958

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	295	0.2M Potassium thiocyanate (pH 7.0), 22% (w/v) PEG 3350