6MRA

Diversity in the type II Natural Killer T cell receptor repertoire and antigen specificity leads to differing CD1d docking strategies

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-03-14
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	49.447, 74.229, 115.578
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.460 - 1.700
R-factor	0.183
Rwork	0.181
R-free	0.21900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.060
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.600	1.790
High resolution limit [Å]	1.700	1.700
Rpim	0.029	0.308
Number of reflections	47656	6830
<I/σ(I)>	16.2
Completeness [%]	100.0	99.8
Redundancy	8.9	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	293	10-20% PEG3350 4% tacsimate