3O4L

Genetic and structural basis for selection of a ubiquitous T cell receptor deployed in Epstein-Barr virus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	CCD
Collection date	2009-11-27
Detector	ADSC QUANTUM 315
Wavelength(s)	0.976
Spacegroup name	P 21 21 2
Unit cell lengths	94.080, 122.500, 82.370
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	61.250 - 2.540
R-factor	0.2245
Rwork	0.221
R-free	0.29620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2p5e
RMSD bond length	0.017
RMSD bond angle	1.233
Data reduction software	xia2
Data scaling software	SCALA (3.3.15)
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	61.250	61.250	2.610
High resolution limit [Å]	2.540	11.360	2.540
Rmerge		0.035	0.832
Total number of observations		2820	17505
Number of reflections	31817
<I/σ(I)>	12.2	16.6	0.9
Completeness [%]	99.1	98.6	95.1
Redundancy	7.9	6.7	7.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	291	0.16 M Ca Acetate, 0.08 M Na Cacodylate, 12.5% PEG 8000, 20% Glycerol, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 291K