8REF

Crystal structure of HLA B*13:01 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	2022-07-30
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.953732
Spacegroup name	P 21 21 21
Unit cell lengths	50.143, 81.970, 107.810
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.470 - 1.900
R-factor	0.1878
Rwork	0.186
R-free	0.22110
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.897
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]	45.470	1.940
High resolution limit [Å]	1.900	1.900
Rmerge	0.112	0.804
Rmeas	0.120	0.864
Rpim	0.044	0.313
Number of reflections	35846	2251
<I/σ(I)>	12.2	2.8
Completeness [%]	100.0	100
Redundancy	7.4	7.6
CC(1/2)	0.998	0.818

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	20% PEG3350 and 2% EG