3QJF

Crystal structure of the 2B4 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	2009-01-01
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	1
Spacegroup name	P 65 2 2
Unit cell lengths	93.850, 93.850, 388.751
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.587 - 2.400
R-factor	0.212
Rwork	0.210
R-free	0.25870
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.168
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.15)
Phasing software	PHASER
Refinement software	PHENIX (1.6.4_486)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.587	46.587	2.530
High resolution limit [Å]	2.400	7.590	2.400
Rmerge		0.061	0.735
Total number of observations		18468	83671
Number of reflections	40602
<I/σ(I)>	14.6	9.3	1
Completeness [%]	99.5	99.3	99.2
Redundancy	14.2	12.2	14.5

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