9DY8

Crystal structure of HLA-B*18:01 in complex with PEMTFFSVK, an 9-mer epitope from Influenza B

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)	0.95365
Spacegroup name	P 21 21 21
Unit cell lengths	50.821, 81.423, 110.345
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.160 - 2.000
R-factor	0.1981
Rwork	0.196
R-free	0.24760
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.896
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.160	2.050
High resolution limit [Å]	2.000	2.000
Rpim	0.068	0.339
Number of reflections	30914	9026
<I/σ(I)>	7.5	2.2
Completeness [%]	98.0	99.6
Redundancy	3.8
CC(1/2)	0.993	0.773

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2M Lithium Acetate and 20% polyethylene glycol 3350