3TZV

Crystal structure of an iNKT TCR in complex with CD1d-lysophosphatidylcholine

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	2010-06-21
Detector	MAR scanner 300 mm plate
Wavelength(s)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	66.591, 117.605, 190.656
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.019 - 3.056
R-factor	0.239
Rwork	0.236
R-free	0.28850
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.668
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.7.3_928)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.019	3.178
High resolution limit [Å]	3.056	3.056
Number of reflections	27183
Completeness [%]	89.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	291	0.1 M Hepes, 17% PEG 4000, 0.1 MgCl2, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 291K