8IF1

Complex structure of HLA2402 with recognizing SARS-CoV-2 Y453F epitope NYNYLFRLF

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-01-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97852
Spacegroup name	P 21 21 21
Unit cell lengths	47.050, 167.490, 168.580
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.318 - 2.500
Rwork	0.251
R-free	0.30860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7f4w
RMSD bond length	0.004
RMSD bond angle	0.710
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.320	2.589
High resolution limit [Å]	2.500	2.500
Number of reflections	47187	3390
<I/σ(I)>	16.04
Completeness [%]	99.8	99.42
Redundancy	14.42	11.62
CC(1/2)	0.999	0.743

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	287	20% PEG 8000, 0.1 M HEPES 7.5