3HG1

Germline-governed recognition of a cancer epitope by an immunodominant human T cell receptor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX14.2
Synchrotron site	SRS
Beamline	PX14.2
Temperature [K]	100
Detector technology	CCD
Collection date	2007-08-03
Detector	ADSC QUANTUM 4
Wavelength(s)	0.979
Spacegroup name	P 43
Unit cell lengths	120.898, 120.898, 81.980
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.650 - 3.000
R-factor	0.229
Rwork	0.225
R-free	0.30400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	MIXED ENTRIES
RMSD bond length	0.015
RMSD bond angle	1.021
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.25)
Phasing software	PHASER (1.3.3)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.650	48.680	3.160
High resolution limit [Å]	3.000	9.490	3.000
Rmerge	0.164	0.033	0.737
Total number of observations		2521	11687
Number of reflections	23764
<I/σ(I)>	4.512	18.7	1
Completeness [%]	99.6	97	100
Redundancy	3.4	3.3	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.4	293	23% PEG 550 MME, 0.1M TRIS, 15% Glycerol, pH 7.4, VAPOR DIFFUSION, SITTING DROP, temperature 293K