3OF6

Human pre-T cell receptor crystal structure

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-04-03
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979461
Spacegroup name	P 32 2 1
Unit cell lengths	114.902, 114.902, 183.101
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	67.374 - 2.800
R-factor	0.1787
Rwork	0.175
R-free	0.24020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1KGC; E chain
RMSD bond length	0.002
RMSD bond angle	0.378
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASES
Refinement software	PHENIX ((phenix.refine: 1.4_4))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	67.400	67.420	2.950
High resolution limit [Å]	2.800	8.850	2.800
Number of reflections	35135
Completeness [%]	100.0	99.8	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	277	0.1M sodium cacodylate, pH 7.0, 0.1M calcium acetate, 13-16% PEG 1500, VAPOR DIFFUSION, HANGING DROP, temperature 277K