3B3I

Citrullination-dependent differential presentation of a self-peptide by HLA-B27 subtypes

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	110
Detector technology	CCD
Collection date	2006-12-03
Detector	ADSC QUANTUM 315
Wavelength(s)	0.982
Spacegroup name	P 21 21 21
Unit cell lengths	51.343, 82.303, 109.279
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.680 - 1.860
R-factor	0.191
Rwork	0.189
R-free	0.23300
Starting model (for MR)	1of2
RMSD bond length	0.007
RMSD bond angle	1.038
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.890
High resolution limit [Å]	1.850	4.560	1.850
Rmerge	0.071	0.029	0.303
Number of reflections	37217
<I/σ(I)>	15.2
Completeness [%]	93.1	94	91

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	291	0.1 M Tris, 25% PEG 8000, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K