6HMW

Cholera toxin classical B-pentamer in complex with fucose

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	2018-03-22
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979531
Spacegroup name	C 1 2 1
Unit cell lengths	115.785, 100.543, 93.012
Unit cell angles	90.00, 117.00, 90.00

Refinement procedure

Resolution	47.420 - 1.950
R-factor	0.18921
Rwork	0.187
R-free	0.23743
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5elb
RMSD bond length	0.014
RMSD bond angle	1.679
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]	47.420	2.000
High resolution limit [Å]	1.950	1.950
Rmeas	0.149	1.251
Number of reflections	67464	4577
<I/σ(I)>	6.2
Completeness [%]	97.7	98.5
Redundancy	2.7
CC(1/2)		0.410

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.7	293.15	0.1 M Bicine-Tris, 10% PEG1000, 10% PEG3350, 10% MPD, 0.03 M calcium chloride, 0.03 M magnesium chloride.