6AT6

Crystal structure of the KFJ5 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	2013-03-01
Detector	ADSC QUANTUM 210
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	49.904, 73.360, 123.042
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.121 - 1.417
R-factor	0.1985
Rwork	0.198
R-free	0.21840
RMSD bond length	0.007
RMSD bond angle	1.096
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.250	1.490
High resolution limit [Å]	1.417	1.417
Rmerge	0.074	0.487
Rpim	0.030	0.198
Number of reflections	86034	12212
<I/σ(I)>	15.1	6.8
Completeness [%]	99.4	97.8
Redundancy	7	6.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	277	0.1 M Tris-HCl pH 8.5 and 25 % PEG3350