3BW9

Crystal Structure of HLA B*3508 in complex with a HCMV 12-mer peptide from the pp65 protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2005-11-07
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	51.006, 82.086, 111.515
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 1.750
R-factor	0.192
Rwork	0.189
R-free	0.23500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2h6p
RMSD bond length	0.010
RMSD bond angle	1.278
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.820
High resolution limit [Å]	1.720	1.720
Rmerge	0.057	0.334
Number of reflections	94441
<I/σ(I)>	27.4	3.4
Completeness [%]	98.2	92.2
Redundancy	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.6	277	0.2M ammonium acetate, 16% PEG 3350, pH 7.6, vapor diffusion, hanging drop, temperature 277K