3PAB

Crystal Structure of H2-Kb in complex with a mutant of the chicken ovalbumin epitope OVA-E1

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	2009-03-27
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.954
Spacegroup name	P 1 21 1
Unit cell lengths	66.683, 88.818, 89.121
Unit cell angles	90.00, 111.38, 90.00

Refinement procedure

Resolution	42.365 - 2.200
R-factor	0.1963
Rwork	0.193
R-free	0.26000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1vac
RMSD bond length	0.007
RMSD bond angle	1.116
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.000		2.300
High resolution limit [Å]	2.200	10.000	2.200
Rmerge	0.094	0.041	0.380
Rmeas		0.043	0.400
Number of reflections	49257	549	6155
<I/σ(I)>	18.49	47	5.9
Completeness [%]	99.9	98.9	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	277	0.2M calcium acetate, 15% PEG 8K, 0.1M Na-malonate, pH 6, vapor diffusion, hanging drop, temperature 277K