8Z08

The structure of HLA-A*2402 complex with peptide from SARS-CoV-2 S448-456 NYNYQYRLF(BA.2.12.1)

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	2023-06-08
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979183
Spacegroup name	C 1 2 1
Unit cell lengths	162.140, 65.860, 49.990
Unit cell angles	90.00, 90.38, 90.00

Refinement procedure

Resolution	27.500 - 2.010
R-factor	0.1865
Rwork	0.184
R-free	0.23300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7f4w
RMSD bond length	0.007
RMSD bond angle	0.840
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.540	2.060
High resolution limit [Å]	2.010	2.010
Rmerge	0.200	0.873
Number of reflections	34520	34520
<I/σ(I)>	7.2
Completeness [%]	98.3
Redundancy	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.1M Bis-Tris, 20%w/v Polyethylene glycol monomethyl ether 5000