3RTQ

Structure of the mouse CD1d-HS44-iNKT TCR complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-06-03
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.979
Spacegroup name	C 2 2 21
Unit cell lengths	78.776, 191.660, 150.919
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.410 - 2.800
R-factor	0.22914
Rwork	0.227
R-free	0.26825
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.843
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.121
Number of reflections	28431
<I/σ(I)>	11.7
Completeness [%]	99.5	100
Redundancy	3.6	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	295	16% polyethylene glycol 3350, 8% v/v Tacsimate, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 295K