5WMN

Crystal Structure of HLA-B7 in complex with SPI, an influenza peptide

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	CCD
Collection date	2014-02-08
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.954
Spacegroup name	P 1 21 1
Unit cell lengths	69.396, 84.262, 77.945
Unit cell angles	90.00, 104.00, 90.00

Refinement procedure

Resolution	36.810 - 1.820
R-factor	0.1859
Rwork	0.184
R-free	0.22160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3vcl
RMSD bond length	0.010
RMSD bond angle	1.060
Data scaling software	Aimless (0.3.11)
Phasing software	PHASER
Refinement software	BUSTER

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.610	47.610	1.860
High resolution limit [Å]	1.820	9.100	1.820
Rmerge	0.049	0.018	0.731
Total number of observations	292026	1931	16080
Number of reflections	77499	615	4402
<I/σ(I)>	19.8	67.5	2.1
Completeness [%]	99.3	93.1	96.1
Redundancy	3.8	3.1	3.7
CC(1/2)	0.999	0.999	0.769

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