4WW2

Crystal structure of human TCR Alpha Chain-TRAV21-TRAJ8, Beta Chain-TRBV7-8, Antigen-presenting glycoprotein CD1d, and Beta-2-microglobulin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2013-06-15
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.7108
Spacegroup name	C 1 2 1
Unit cell lengths	209.990, 46.300, 124.650
Unit cell angles	90.00, 122.28, 90.00

Refinement procedure

Resolution	44.800 - 2.480
R-factor	0.1981
Rwork	0.196
R-free	0.24390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2po6 4ww1
RMSD bond length	0.008
RMSD bond angle	1.030
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	BUSTER (2.10.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.800	2.580
High resolution limit [Å]	2.480	2.480
Number of reflections	36324
<I/σ(I)>	8.2	1.6
Completeness [%]	99.5	97.3
Redundancy	4.6	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	9-10% PEG 6K 0.1M MES 6.0 4% Ethylene Glycol