3QJH

The crystal structure of the 5c.c7 TCR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2008-02-19
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	1
Spacegroup name	P 21 21 2
Unit cell lengths	133.166, 139.458, 61.975
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.323 - 1.900
R-factor	0.2263
Rwork	0.225
R-free	0.25640
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.008
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.25)
Phasing software	PHASER
Refinement software	PHENIX (1.6.4_486)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	96.310	69.673	2.000
High resolution limit [Å]	1.900	6.010	1.900
Rmerge	0.041	0.023	0.267
Total number of observations		10877	48922
Number of reflections	91312
<I/σ(I)>	20.2	23.9	2.8
Completeness [%]	99.6	99.4	98.9
Redundancy	3.7	3.4	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.7	295	20 % PEG3350, 0.1 M calcium chloride and Tris, pH 7.7, VAPOR DIFFUSION, temperature 295K