9OHV

CD1c presenting dual lipids MPM and GD3 ganglioside

This is a non-PDB format compatible entry.

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	2022-11-11
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.95373
Spacegroup name	P 21 21 21
Unit cell lengths	54.915, 84.941, 93.219
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.470 - 2.120
R-factor	0.2205
Rwork	0.218
R-free	0.26000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.164
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]	42.470	2.210
High resolution limit [Å]	2.120	2.180
Rpim	0.039	0.528
Number of reflections	25243	12862
<I/σ(I)>	10.6
Completeness [%]	99.5
Redundancy	6.7
CC(1/2)	0.997

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9.46	293	0.1 M CHES pH 9.46 1.05 M tri-Na Citrate 0.025 M tri-glycine