8RBU

Crystal structure of HLA-A*11:01 in complex with SVLNDILARL, 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 3 2 1
Unit cell lengths	86.992, 86.992, 107.183
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.670 - 2.700
R-factor	0.2061
Rwork	0.204
R-free	0.25230
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.001
RMSD bond angle	0.403
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]	43.670	2.830
High resolution limit [Å]	2.700	2.700
Rmerge	0.175	0.985
Rmeas	0.184	1.036
Rpim	0.055	0.317
Number of reflections	13337	1734
<I/σ(I)>	13
Completeness [%]	100.0	100
Redundancy	11	10.8
CC(1/2)	0.996	0.773

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