7EU2

Complex structure of HLA0201 with recognizing SARS-CoV-2 epitope S1

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	2021-05-07
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.0
Spacegroup name	P 2 21 21
Unit cell lengths	70.490, 103.340, 128.410
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.134 - 2.800
R-factor	0.233
Rwork	0.231
R-free	0.26620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5hhn
RMSD bond length	0.004
RMSD bond angle	0.879
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.134	2.870
High resolution limit [Å]	2.800	2.800
Rmeas	0.219
Number of reflections	23705	1720
<I/σ(I)>	10.73	1.69
Completeness [%]	99.8	99.8
Redundancy	7.75
CC(1/2)	0.995	0.654

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	287	26% PEG 4000, 0.2 M Sodium acetate, and 0.1 M Tris-HCl pH9.0