9OHW

CD1c presenting GM1 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	2023-04-22
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.95372
Spacegroup name	P 21 21 21
Unit cell lengths	57.616, 86.559, 91.982
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.830 - 2.500
Rwork	0.207
R-free	0.24650
Structure solution method	MOLECULAR REPLACEMENT
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]	48.830	2.590
High resolution limit [Å]	2.490	2.490
Rmerge	0.158	1.564
Rmeas	0.173
Rpim	0.068	0.689
Number of reflections	16415	1832
<I/σ(I)>	9.4
Completeness [%]	99.6
Redundancy	6.4	6.3
CC(1/2)	0.983	0.545

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