7MLE

Crystal Structure of HLA-A*03:01 in complex with VVRPSVASK, an 9-mer epitope from Influenza B virus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-08-15
Detector	DECTRIS PILATUS 12M
Wavelength(s)	0.98
Spacegroup name	P 6 2 2
Unit cell lengths	155.265, 155.265, 85.331
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.660 - 2.200
R-factor	0.219
Rwork	0.216
R-free	0.26400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3rl1
RMSD bond length	0.010
RMSD bond angle	1.100
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.820	2.270
High resolution limit [Å]	2.200	2.200
Number of reflections	31267	2662
<I/σ(I)>	16.5
Completeness [%]	100.0	100
Redundancy	40.3	40.7
CC(1/2)	0.987	0.916

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	277	1M trisodium citrate, 0.1M sodium cacodylate pH 6.5