5L2K

Crystal structure of GEM42 TCR-CD1b-GMM 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	2015-12-03
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9537
Spacegroup name	P 64 2 2
Unit cell lengths	174.998, 174.998, 170.869
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.730 - 3.200
R-factor	0.219
Rwork	0.218
R-free	0.23920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5l2j 4g8f
RMSD bond length	0.007
RMSD bond angle	0.920
Data reduction software	XDS
Data scaling software	SCALA (3.3.21)
Phasing software	PHASER
Refinement software	BUSTER (2.10.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.730	3.370
High resolution limit [Å]	3.200	3.200
Rmerge		7.760
Rmeas		0.083
Rpim		0.011
Total number of observations		227748
<I/σ(I)>		1.8
Completeness [%]		100
Redundancy		61.1
CC(1/2)		0.638

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	277	1.5-2M NH4SO4, 0.1M Tris-HCl pH8.5, 10mM MgCl2, 10mM CeCl2