7F4W

Complex structure of HLA2402 with recognizing SARS-CoV-2 epitope pep4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NFPSS BEAMLINE BL19U1
Synchrotron site	NFPSS
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-05-07
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97852
Spacegroup name	P 21 21 21
Unit cell lengths	47.440, 135.600, 153.330
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.830 - 2.900
R-factor	0.2466
Rwork	0.244
R-free	0.29820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2bck
RMSD bond length	0.010
RMSD bond angle	1.111
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]	47.830	3.030
High resolution limit [Å]	2.900	2.900
Rmerge	0.340
Rmeas	0.355
Number of reflections	22639	1659
<I/σ(I)>	13.39	1.65
Completeness [%]	99.5	99.5
Redundancy	12.1	12.1
CC(1/2)	0.993	0.762

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.1	287	0.1 M HEPES pH8.1 22%(v/v) PEG8000