8RCV

Crystal structure of HLA B*13:01 in complex with SVLNDIFSRL, 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	50.061, 82.734, 109.520
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.370 - 1.650
R-factor	0.1799
Rwork	0.179
R-free	0.20090
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.042
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]	45.660	1.680
High resolution limit [Å]	1.650	1.650
Rmerge	0.092	0.763
Rmeas	0.100	0.819
Rpim	0.037	0.296
Number of reflections	55444	2692
<I/σ(I)>	11.9	2.5
Completeness [%]	99.8	99.6
Redundancy	7.3	7.5
CC(1/2)	0.998	0.793

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	14% PEG3350 and 0.1M NaFormate