3P4N

Crystal Structure of H2-Kb in complex with the NP205-PV epitope YTVKFPNM, an 8-mer peptide from PV

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	2007-07-20
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.9
Spacegroup name	P 1 21 1
Unit cell lengths	66.190, 90.600, 89.160
Unit cell angles	90.00, 111.11, 90.00

Refinement procedure

Resolution	19.917 - 2.500
R-factor	0.2493
Rwork	0.243
R-free	0.30770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1vac
RMSD bond length	0.008
RMSD bond angle	1.170
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.6.1_357)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.000		2.600
High resolution limit [Å]	2.500	10.000	2.500
Rmerge	0.067	0.021	0.222
Rmeas		0.027	0.296
Number of reflections	32752	438	3647
<I/σ(I)>	10.76	28.4	3.6
Completeness [%]	95.9	78.1	96.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	0.2M ammonium acetate, 16-24% PEG 3350, 0.1M Na-cacodylate, pH 6.5, vapor diffusion, hanging drop, temperature 277K