8YZW

The structure of HLA-A*2402 complex with peptide from SARS-CoV-2 S448-456 NYDYWYRLF(BA.2.86)

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	2023-10-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979183
Spacegroup name	P 1
Unit cell lengths	50.235, 65.507, 87.099
Unit cell angles	111.94, 90.08, 90.15

Refinement procedure

Resolution	32.120 - 2.360
R-factor	0.2188
Rwork	0.216
R-free	0.27800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7f4w
RMSD bond length	0.008
RMSD bond angle	0.980
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.760	2.480
High resolution limit [Å]	2.360	2.360
Rpim	0.183	0.813
Number of reflections	39781	6043
<I/σ(I)>	3.5
Completeness [%]	93.6
Redundancy	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	277	0.1 M Sodium citrate tribasic dihydrate , 18% (w/v) Polyethylene glycol 3350