8GLG

Crystal Structure of Human CD1b in Complex with Phosphatidylethanolamine C34:1

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	2015-11-22
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.93760
Spacegroup name	P 21 21 21
Unit cell lengths	58.074, 80.529, 92.979
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.950 - 1.600
R-factor	0.187
Rwork	0.186
R-free	0.20900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5l2k
RMSD bond length	0.009
RMSD bond angle	1.010
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	BUSTER

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.490	1.630
High resolution limit [Å]	1.600	1.600
Rpim	0.041	0.541
Number of reflections	57434	2741
<I/σ(I)>	17.2	2.2
Completeness [%]	98.8	97.3
Redundancy	14.9	15
CC(1/2)	0.990	0.730

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	27% PEG3350, 0.1 M sodium iodide