6V7Y

Human CD1d presenting alpha-Galactosylceramide in complex with VHH nanobody 1D5

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	PIXEL
Collection date	2017-05-05
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.95372
Spacegroup name	P 31 2 1
Unit cell lengths	73.270, 73.270, 261.077
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	31.730 - 2.400
R-factor	0.201
Rwork	0.241
R-free	0.27550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2po6 3p0g
RMSD bond length	0.010
RMSD bond angle	1.140
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	63.450	2.420
High resolution limit [Å]	2.340	2.340
Rpim		0.044
Number of reflections	35426	3391
<I/σ(I)>	8.3	2.1
Completeness [%]	100.0	99.9
Redundancy	9.5	10
CC(1/2)	0.997	0.435

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	2M Ammonium Sulphate, 0.1M Tris-HCl pH 7.0, 0.2M Lithium Sulphate