8DV3

Crystal structure of human CD1b presenting Phosphatidylinositol 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	2018-10-13
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9753
Spacegroup name	P 21 21 21
Unit cell lengths	57.816, 78.628, 92.725
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.580 - 1.900
R-factor	0.1935
Rwork	0.192
R-free	0.25340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5wl1
RMSD bond length	0.008
RMSD bond angle	0.899
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.580	1.970
High resolution limit [Å]	1.900	1.900
Rpim	0.062	0.635
Number of reflections	33822	3316
<I/σ(I)>	13.5	2.1
Completeness [%]	99.3	98.66
Redundancy	14.7	14.7
CC(1/2)	0.990	0.730

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	24% PEG 3350, 0.2M Sodium Iodide, 2% ethylene glycol