3UTP

1E6 TCR specific for HLA-A*0201-ALWGPDPAAA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-02-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9778
Spacegroup name	C 1 2 1
Unit cell lengths	192.030, 43.260, 124.710
Unit cell angles	90.00, 101.25, 90.00

Refinement procedure

Resolution	30.578 - 2.574
R-factor	0.2327
Rwork	0.230
R-free	0.29100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	0.905
Data reduction software	xia2
Data scaling software	SCALA (3.3.15)
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.578	30.578	2.640
High resolution limit [Å]	2.574	11.510	2.574
Rmerge		0.035	0.782
Total number of observations		1281	8514
Number of reflections	32433
<I/σ(I)>	9.3	16.2	0.9
Completeness [%]	99.6	94.2	99.8
Redundancy	3.7	3.3	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	291	20% w/v PEG3350, 0.2 M sodium iodide, 0.1 M Bis-tris propane, pH 7.5, VAPOR DIFFUSION, temperature 291K