3TYF

Crystal structure of a CD1d-lysophosphatidylcholine reactive iNKT TCR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2010-08-15
Detector	MAR scanner 300 mm plate
Wavelength(s)	1.03322
Spacegroup name	P 1
Unit cell lengths	64.602, 65.755, 66.993
Unit cell angles	103.89, 106.32, 100.84

Refinement procedure

Resolution	20.000 - 2.806
R-factor	0.22
Rwork	0.217
R-free	0.27210
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.776
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.7_650)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.019	2.934
High resolution limit [Å]	2.800	2.800
Number of reflections	22562

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	291	0.1 M Hepes, 17% PEG 4000, 0.1 M BaCl2, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 291K