5LZJ
Cholera toxin El Tor B-pentamer in complex with inhibitor Laura237
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 | 2015-07-20 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97239 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 102.245, 66.476, 82.401 |
| Unit cell angles | 90.00, 116.96, 90.00 |
Refinement procedure
| Resolution | 73.450 - 1.200 |
| R-factor | 0.19671 |
| Rwork | 0.195 |
| R-free | 0.22817 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3chb |
| RMSD bond length | 0.021 |
| RMSD bond angle | 2.154 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.600 | 1.270 |
| High resolution limit [Å] | 1.200 | 1.200 |
| Rmerge | 0.096 | |
| Number of reflections | 144269 | |
| <I/σ(I)> | 5.55 | |
| Completeness [%] | 93.8 | 72.4 |
| Redundancy | 2.9 | 2.3 |
| CC(1/2) | 0.994 | 0.337 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1M MES pH 6, 30% PEG 400, 3% PGA-LM |
