4LFH

Crystal Structure of 9C2 TCR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-06-13
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.954
Spacegroup name	P 42 21 2
Unit cell lengths	118.534, 118.534, 89.127
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.710 - 2.300
R-factor	0.1891
Rwork	0.187
R-free	0.23760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ENTRIES 3OMZ AND 1HXM
RMSD bond length	0.010
RMSD bond angle	1.180
Data reduction software	XDS
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER
Refinement software	BUSTER-TNT

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	83.816	2.420
High resolution limit [Å]	2.300	2.300
Rmerge		0.383
Number of reflections	28824
<I/σ(I)>		2.2
Completeness [%]	100.0	100
Redundancy	14.4	14.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	40% PEG300, 0.1 M sodium cacodylate, pH 6.5, 0.2 M calcium acetate, VAPOR DIFFUSION, HANGING DROP, temperature 277K