7N1B

SARS-CoV-2 RLQ 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 1
Unit cell lengths	47.204, 49.259, 117.094
Unit cell angles	91.89, 92.39, 118.59

Refinement procedure

Resolution	43.174 - 2.810
R-factor	0.2138
Rwork	0.211
R-free	0.26910
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]	43.200	2.910
High resolution limit [Å]	2.810	2.810
Number of reflections	37697	3276
<I/σ(I)>	9.4
Completeness [%]	96.1
Redundancy	1.7
CC(1/2)	0.911	0.638

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	295	0.2M Ammonium sulfate, 0.1M MES (pH 6.5), 20% (w/v) PEG 8000 by micro-seeding