6HMY

Cholera toxin classical B-pentamer in complex with fucosyl-GM1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX IV BEAMLINE BioMAX
Synchrotron site	MAX IV
Beamline	BioMAX
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-04
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.980802
Spacegroup name	C 1 2 1
Unit cell lengths	148.626, 74.137, 111.245
Unit cell angles	90.00, 105.59, 90.00

Refinement procedure

Resolution	44.320 - 1.600
R-factor	0.18517
Rwork	0.184
R-free	0.21414
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5elb
RMSD bond length	0.016
RMSD bond angle	1.831
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0230)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.320	1.630
High resolution limit [Å]	1.600	1.600
Rmeas	0.176	0.964
Number of reflections	150674
<I/σ(I)>	4.9
Completeness [%]	98.4
Redundancy	2.6
CC(1/2)		0.449

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.7	293.15	0.1 M Bicine-Tris, 6% PEG1000, 6% PEG3350, 6% MPD, 0.03 M calcium chloride, 0.03 M magnesium chloride.