6NUX

CD1a-lipid binary complex

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	2018-04-14
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	42.065, 90.020, 105.262
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.435 - 2.200
R-factor	0.2068
Rwork	0.205
R-free	0.24780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5j1a
RMSD bond length	0.002
RMSD bond angle	0.601
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.435	2.270
High resolution limit [Å]	2.200	2.200
Rpim		0.267
Number of reflections	21111	1772
<I/σ(I)>	16.7	2.9
Completeness [%]	100.0	100
Redundancy	13.3	27.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	20-25% PEG 1500, 0.1M MMT pH 5.5