9OHT

CD1c presenting 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	2022-03-04
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.95373
Spacegroup name	P 31 2 1
Unit cell lengths	89.496, 89.496, 158.438
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.640 - 2.980
Rwork	0.224
R-free	0.25130
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.21rc1_5107: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.640	3.160
High resolution limit [Å]	2.980	2.980
Rmerge	0.160	1.649
Rmeas	0.171
Rpim	0.060	0.613
Total number of observations	132394
Number of reflections	15589	2467
<I/σ(I)>	10.8
Completeness [%]	100.0
Redundancy	8.5	8.9
CC(1/2)	0.996	0.533

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