3FFC

Crystal Structure of CF34 TCR in complex with HLA-B8/FLR

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	2008-05-21
Detector	ADSC QUANTUM 210
Wavelength(s)	1.0000
Spacegroup name	I 2 2 2
Unit cell lengths	111.564, 171.807, 272.690
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 2.800
R-factor	0.2231
Rwork	0.221
R-free	0.26779
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1mi5
RMSD bond length	0.009
RMSD bond angle	1.245
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.25)
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	72.739	72.740	2.850
High resolution limit [Å]	2.700	8.540	2.700
Rmerge	0.034	0.013	0.013
Total number of observations		14276	77950
Number of reflections	72044
<I/σ(I)>	1.889	3.2	0.6
Completeness [%]	99.9	97.9	100
Redundancy	7.3	6	7.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.4	293	11% PEG 20000, 0.2M LiSO4, 0.1M Tris, 6mM CdCl, 4% ethylene glycol, 4% dioxane, pH 8.4, vapor diffusion, hanging drop, temperature 293K