8ROP

Crystal structure of HLA B*18:01 in complex with QEIRTFSF, an 8-mer epitope from Influenza A

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)	0.9536
Spacegroup name	P 21 21 21
Unit cell lengths	50.763, 81.269, 109.890
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.080 - 1.150
R-factor	0.1538
Rwork	0.153
R-free	0.16760
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.783
Data reduction software	XDS (1.20.1_4487)
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.080	1.170
High resolution limit [Å]	1.150	1.150
Number of reflections	159264	7596
<I/σ(I)>	13.3	2.5
Completeness [%]	98.7
Redundancy	7.4
CC(1/2)	0.999	0.800

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M Lithium Acetate, 20% w/v PEG 3350, and 10 mM MgCl2