8Z05

The structure of HLA-A*0201 complex with peptide from SARS-CoV-2 N222-230 LLLDRLNKL(BA.2.86/JN.1)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-04-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979183
Spacegroup name	P 1 21 1
Unit cell lengths	40.885, 53.318, 84.449
Unit cell angles	90.00, 94.41, 90.00

Refinement procedure

Resolution	35.630 - 1.960
R-factor	0.2186
Rwork	0.216
R-free	0.27520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7kgq
RMSD bond length	0.008
RMSD bond angle	1.103
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.050	2.070
High resolution limit [Å]	1.960	1.960
Number of reflections	25617	3774
<I/σ(I)>	3.7
Completeness [%]	97.7
Redundancy	4.3
CC(1/2)	0.964	0.673

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.1 M sodium citrate tribasic dihydrate pH 5.5, 18% (w/v) Polyethylene glycol 3,350