4JQV

HLA-B*18:01 in complex with Epstein-Barr virus BZLF1-derived peptide (residues 173-180)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Synchrotron site	APS
Temperature [K]	100
Detector technology	CCD
Collection date	2008-11-24
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97940
Spacegroup name	P 21 21 21
Unit cell lengths	50.848, 81.251, 110.892
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.626 - 1.500
R-factor	0.1907
Rwork	0.189
R-free	0.21420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1sys
RMSD bond length	0.006
RMSD bond angle	1.067
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]	46.220	1.580
High resolution limit [Å]	1.500	1.500
Rmerge	0.061	0.525
Number of reflections	73568
<I/σ(I)>	12.2	2.4
Completeness [%]	99.1	98.5
Redundancy	3.6	3.6

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