8Z07

The structure of HLA-A*2402 complex with peptide from SARS-CoV-2 S448-456 NYNYRYRLF(Delta/BA.5.2)

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	2023-09-08
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979183
Spacegroup name	P 1 21 1
Unit cell lengths	50.526, 67.240, 78.177
Unit cell angles	90.00, 101.31, 90.00

Refinement procedure

Resolution	33.300 - 2.700
R-factor	0.2141
Rwork	0.210
R-free	0.28860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7f4w
RMSD bond length	0.009
RMSD bond angle	1.072
Phasing software	PHASER
Refinement software	PHENIX (1.20.1-4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	76.770	2.630
High resolution limit [Å]	2.500	2.500
Rmerge	0.150	2.617
Number of reflections	14255	2640
<I/σ(I)>	6.7
Completeness [%]	99.6
Redundancy	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277	0.1 M MES monohydrate pH 6.0, 14% (w/v) Polyethylene glycol 4,000