7KGO

Crystal Structure of HLA-A*0201in complex with SARS-CoV-2 N351-359

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-06-06
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.95373
Spacegroup name	P 21 21 21
Unit cell lengths	59.794, 78.254, 111.511
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.510 - 2.150
R-factor	0.1852
Rwork	0.183
R-free	0.22930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3gso
Data reduction software	XDS
Data scaling software	Aimless (0.5.1)
Phasing software	PHASER
Refinement software	BUSTER

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.510	47.510	2.220
High resolution limit [Å]	2.150	8.860	2.150
Rmerge	0.147	0.047	1.324
Rmeas	0.158	0.051	1.412
Rpim	0.056	0.019	0.488
Total number of observations	226686	3172	20120
Number of reflections	29202	486	2485
<I/σ(I)>	10.5	31.8	1.7
Completeness [%]	100.0	99.2	100
Redundancy	7.8	6.5	8.1
CC(1/2)	0.997	0.998	0.608

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	277	20% PEG3350 w/v, 0.2 M NaFormate, 1 mM CdCl2