5WMQ

Crystal Structure of HLA-B8 in complex with ELR, an Influenza A virus peptide

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	CCD
Collection date	2015-02-19
Detector	ADSC QUANTUM 210
Wavelength(s)	0.954
Spacegroup name	C 1 2 1
Unit cell lengths	89.529, 38.553, 128.095
Unit cell angles	90.00, 101.78, 90.00

Refinement procedure

Resolution	20.500 - 1.400
R-factor	0.1995
Rwork	0.199
R-free	0.21600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.080
Data reduction software	XDS
Data scaling software	Aimless (0.3.11)
Phasing software	PHASER
Refinement software	BUSTER (2.10.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.820	43.820	1.420
High resolution limit [Å]	1.400	7.670	1.400
Rmerge		0.028	0.355
Rpim	0.041		0.213
Number of reflections	82282	531	3953
<I/σ(I)>	10.7
Completeness [%]	97.0	92.7	94.5
Redundancy	3.4	3.1	3.7
CC(1/2)		0.997	0.886

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	18-24%PEG4000, 0.2 NH4 Acetate, 0.1M Na-cacodylate pH 6.5