5WMR

Crystal Structure of HLA-B8 in complex with QIK, a CMV 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	P 21 21 21
Unit cell lengths	50.637, 81.520, 110.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.990 - 1.580
R-factor	0.1925
Rwork	0.191
R-free	0.22760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1m05
RMSD bond length	0.010
RMSD bond angle	1.080
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	BUSTER

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	65.683	1.610
High resolution limit [Å]	1.580	1.580
Rpim	0.033	0.344
Number of reflections	63214	2905
<I/σ(I)>	17.2
Completeness [%]	99.8
Redundancy	7.2

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