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. |