4G8F

Crystal Structure of clone42 TCR

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	2012-02-25
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.956
Spacegroup name	P 1 21 1
Unit cell lengths	46.520, 56.790, 85.890
Unit cell angles	90.00, 101.43, 90.00

Refinement procedure

Resolution	33.730 - 2.100
R-factor	0.2044
Rwork	0.203
R-free	0.23560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2nw2
RMSD bond length	0.010
RMSD bond angle	1.240
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	BUSTER-TNT (BUSTER 2.10.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	84.190		2.300
High resolution limit [Å]	2.100	10.000	2.100
Rmerge	0.065	0.022	0.487
Number of reflections	25774	257	6079
<I/σ(I)>	13.9	38.41	2.8
Completeness [%]	99.8	97.7	99.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	20%PEG3350, 0.05m Na-HEPES pH 7, 1% tryptone, vapor diffusion, hanging drop, temperature 298K