5ELB
Cholera toxin classical B-pentamer in complex with Lewis-y
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-05-17 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 72.333, 98.984, 152.019 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.490 - 1.080 |
| R-factor | 0.12221 |
| Rwork | 0.120 |
| R-free | 0.15548 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3chb |
| RMSD bond length | 0.021 |
| RMSD bond angle | 2.218 |
| Data reduction software | XDS (January 10, 2014) |
| Data scaling software | XDS (January 10, 2014) |
| Phasing software | PHASER (2.5.6) |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.500 | 1.140 |
| High resolution limit [Å] | 1.080 | 1.080 |
| Number of reflections | 369957 | |
| <I/σ(I)> | 12.48 | 1 |
| Completeness [%] | 78.9 | 19.3 |
| Redundancy | 5.7 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 0.1 M Bicine-Tris, 10% PEG1000, 10% PEG3350, 10% MPD, 0.03 M calcium chloride, 0.03 M magnesium chloride. Microseeding. |
