8RH6

Crystal structure of HLA-A*11:01 in complex with SVLNDILSRL, an 10-mer epitope from SARS-CoV-2 Spike (S975-984)

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	2022-03-23
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.953732
Spacegroup name	P 31 2 1
Unit cell lengths	84.850, 84.850, 311.296
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.500 - 3.320
R-factor	0.2228
Rwork	0.221
R-free	0.25140
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.001
RMSD bond angle	0.409
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21rc1_5127)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.500	3.590
High resolution limit [Å]	3.320	3.320
Rmerge	0.215	0.877
Rmeas	0.248	1.014
Rpim	0.119	0.495
Number of reflections	20087	4051
<I/σ(I)>	5.9	1.6
Completeness [%]	99.6	99.5
Redundancy	4.1	3.8
CC(1/2)	0.989	0.553

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	25% PEG3350, 0.2M NaCl and 0.1M Tris HCl pH8.5