3TJH

42F3-p3A1/H2-Ld complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-03-31
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 21 21 2
Unit cell lengths	197.190, 61.670, 69.820
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.735 - 2.120
R-factor	0.2074
Rwork	0.206
R-free	0.23670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3tf7
RMSD bond length	0.003
RMSD bond angle	0.670
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.6.1_357))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.860	2.230
High resolution limit [Å]	2.120	2.120
Number of reflections	49259
Completeness [%]	99.8	99.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.6	293	16% PEG 3350, 0.2M ammonium nitrate and 0.1M Bis-Tris pH 6.6 in a 1:1 (v/v) drop with the TCR-pMHC complex. Crystals were soaked stepwise into well solution with 20% ethylene glycol and flash frozen in liquid nitrogen, VAPOR DIFFUSION, temperature 293K