6XQA

Crystal Structure of HLA A*2402 in complex with TYQWVLKNL, an 9-mer epitope from Influenza B virus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-02-19
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.98
Spacegroup name	P 1 21 1
Unit cell lengths	46.066, 122.966, 86.590
Unit cell angles	90.00, 103.39, 90.00

Refinement procedure

Resolution	44.810 - 2.160
R-factor	0.181
Rwork	0.179
R-free	0.22900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4f7m
RMSD bond length	0.010
RMSD bond angle	1.080
Data reduction software	XDS
Data scaling software	Aimless (0.1.27)
Phasing software	PHASER
Refinement software	BUSTER

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.810	44.810	2.230
High resolution limit [Å]	2.160	8.920	2.160
Rmerge	0.078	0.019	0.538
Total number of observations	188348	2556	15744
Number of reflections	49524	724	4188
<I/σ(I)>	14.4	49.7	2.6
Completeness [%]	99.2	97.6	96.9
Redundancy	3.8	3.5	3.8
CC(1/2)	0.998	0.999	0.819

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	277	24% PEG8000, 0.1 HEPES pH 7.5, 2% isopropanol, 5% w/v Polyvinylpyrrolidone K15