4JQX

HLA-B*44:03 in complex with Epstein-Barr virus BZLF1-derived peptide (residues 169-180)

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	2008-10-06
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.95668
Spacegroup name	P 21 21 21
Unit cell lengths	50.816, 81.619, 110.336
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.275 - 1.900
R-factor	0.1965
Rwork	0.195
R-free	0.23110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1sys
RMSD bond length	0.007
RMSD bond angle	1.052
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.180	2.000
High resolution limit [Å]	1.900	1.900
Rmerge	0.147	0.569
Number of reflections	35075
<I/σ(I)>	8.3	2.6
Completeness [%]	95.5	97.1
Redundancy	5.9	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	293	0.1 M citrate, pH 5.6, 0.2 M ammonium acetate, 16-26% PEG4000, VAPOR DIFFUSION, HANGING DROP, temperature 293K