6V7Z

Human CD1d presenting alpha-Galactosylceramide in complex with VHH nanobody 1D22

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)	0.95365
Spacegroup name	P 21 21 21
Unit cell lengths	67.717, 121.933, 172.136
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.309 - 2.750
R-factor	0.1891
Rwork	0.186
R-free	0.25190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2po6 3p0g
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.780	2.870
High resolution limit [Å]	2.750	2.750
Rpim	0.004	0.033
Number of reflections	37944	4554
<I/σ(I)>	12.8	2.1
Completeness [%]	100.0	100
Redundancy	6.8	6.4
CC(1/2)	0.998	0.842

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.3	293	29% (v/v) PEG3350, 0.2M ammonium sulphate, 0.1M Bis-Tris (pH 5.3), 3% (v/v) glucose monohydrate