7JYW

Crystal Structure of HLA A*2402 in complex with TYQWIIRNW, an 9-mer influenza epitope

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	2018-06-08
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.98
Spacegroup name	P 65 2 2
Unit cell lengths	87.295, 87.295, 312.441
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.160 - 2.900
R-factor	0.243
Rwork	0.241
R-free	0.27500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4f7m
RMSD bond length	0.007
RMSD bond angle	0.960
Data reduction software	XDS
Data scaling software	Aimless (0.3.11)
Phasing software	PHASER
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.160	48.160	3.080
High resolution limit [Å]	2.900	8.700	2.900
Rmerge	0.088	0.028	0.936
Total number of observations	159459	5864	25130
Number of reflections	16623	751	2577
<I/σ(I)>	16.4	53	2.1
Completeness [%]	99.9	99.5	99.9
Redundancy	9.6	7.8	9.8
CC(1/2)	0.999	1.000	0.953

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	277	20% PEG3350, 0.2M Na acetate