8ROO

Crystal structure of HLA B*18:01 in complex with YERMCNIL, 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	2023-07-19
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.953732
Spacegroup name	P 21 21 21
Unit cell lengths	50.853, 81.482, 111.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.740 - 1.400
R-factor	0.1554
Rwork	0.154
R-free	0.18860
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.027
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]	46.250	1.420
High resolution limit [Å]	1.400	1.400
Number of reflections	91186	4394
<I/σ(I)>	15.6	3.3
Completeness [%]	99.6
Redundancy	7.9
CC(1/2)	0.999	0.639

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M Potassium Nitrate, 20% w/v PEG 3350 at pH 6.5