3MBE

TCR 21.30 in complex with MHC class II I-Ag7HEL(11-27)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	96
Detector technology	CCD
Collection date	2009-10-25
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.07229
Spacegroup name	P 21 21 21
Unit cell lengths	67.468, 99.391, 404.677
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.261 - 2.886
R-factor	0.254
Rwork	0.253
R-free	0.28100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	I-Ag7GPI282-292 (unpublished) PDB ENTRY 1MWA
RMSD bond length	0.007
RMSD bond angle	1.002
Data reduction software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.5_2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.260	2.980
High resolution limit [Å]	2.880	2.880
Number of reflections	43435
<I/σ(I)>		0.98
Completeness [%]	68.9	26.4
Redundancy	1.99	0.35

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	295	20% PEG4000, 0.2M K formate, 0.1M Na Cacodylate., pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K