6C09

Ternary crystal structure of the 3C8 TCR-CD1c-monoacylglycerol complex

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	2015-07-31
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9537
Spacegroup name	P 31 2 1
Unit cell lengths	173.170, 173.170, 82.470
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.530 - 2.950
R-factor	0.176
Rwork	0.174
R-free	0.20800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ov6 1bd2
RMSD bond length	0.010
RMSD bond angle	1.180
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	80.000	3.110
High resolution limit [Å]	2.950	2.950
Rpim	0.070	0.760
Number of reflections	30233	4343
<I/σ(I)>	11.6	1.9
Completeness [%]	100.0	100
Redundancy	7.8	8
CC(1/2)	0.990	0.150

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	20% PEG 3350, 0.2M potassium thiocynate