2XN9

Crystal structure of the ternary complex between human T cell receptor, staphylococcal enterotoxin H and human major histocompatibility complex class II

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-07-23
Detector	ADSC CCD
Spacegroup name	C 1 2 1
Unit cell lengths	191.180, 48.890, 166.720
Unit cell angles	90.00, 113.55, 90.00

Refinement procedure

Resolution	152.500 - 2.300
R-factor	0.22414
Rwork	0.222
R-free	0.27236
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1OGA CHAINS D E AND PDB ENTRY 1HXY CHAINS A B D
RMSD bond length	0.013
RMSD bond angle	1.443
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.720	2.420
High resolution limit [Å]	2.300	2.300
Rmerge	0.080	0.450
Number of reflections	61858
<I/σ(I)>	10.3	2.1
Completeness [%]	97.6	88.8
Redundancy	3.2	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7		15% W/V PEG 5000 MME, 0.1 M BIS-TRIS PH 7.0, 0.1 M NACL