9OHX

CD1c presenting endogenous lipids

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	CCD
Collection date	2023-06-22
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.95373
Spacegroup name	P 21 21 21
Unit cell lengths	55.935, 84.661, 92.510
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.870 - 1.680
R-factor	0.1908
Rwork	0.189
R-free	0.21670
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.896
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.21.2_5419: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.870	1.710
High resolution limit [Å]	1.680	1.680
Rpim	0.022	0.559
Number of reflections	50885	2571
<I/σ(I)>	18.2	2.7
Completeness [%]	100.0	100
Redundancy	13.5	13.7
CC(1/2)	0.990	0.892

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9.4	293	100 mM CHES, 1.05 M sodium citrate, 25 mM triglycine