4X6C

CD1a ternary complex with lysophosphatidylcholine and BK6 TCR

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	2014-08-07
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	89.273, 142.144, 175.752
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	74.746 - 2.800
R-factor	0.1785
Rwork	0.176
R-free	0.23610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Chain A and B from 1ONQ and chain G and H from 4PJ5
RMSD bond length	0.009
RMSD bond angle	1.269
Data reduction software	iMOSFLM
Data scaling software	Aimless
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	79.590	2.880
High resolution limit [Å]	2.800	2.800
Number of reflections	55926
<I/σ(I)>	10.8	2
Completeness [%]	99.8	97.5
Redundancy	5.8	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	sodium citrate, bis-tris propane, PEG 3350