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. |