8GLE

Crystal Structure of Human CD1b in Complex with Lysosulfatide

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	PIXEL
Collection date	2019-07-14
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.95370
Spacegroup name	P 21 21 21
Unit cell lengths	57.871, 79.525, 93.174
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.160 - 1.850
R-factor	0.19
Rwork	0.188
R-free	0.22900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6d64
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.160	1.920
High resolution limit [Å]	1.850	1.850
Rpim	0.030	0.245
Number of reflections	37383	3670
<I/σ(I)>	8.51	2.65
Completeness [%]	99.6	98.5
Redundancy	2	2
CC(1/2)	0.990	0.840

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	26% PEG3350, 0.1 M sodium iodide, 2% ethylene glycol