5LZG
Cholera toxin El Tor B-pentamer in complex with inhibitor PC262
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-02-15 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.991872 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 101.880, 66.291, 77.407 |
| Unit cell angles | 90.00, 105.74, 90.00 |
Refinement procedure
| Resolution | 47.800 - 1.130 |
| R-factor | 0.17587 |
| Rwork | 0.175 |
| R-free | 0.19750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3chb |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.899 |
| 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] | 47.800 | 1.190 |
| High resolution limit [Å] | 1.120 | 1.120 |
| Number of reflections | 139423 | |
| <I/σ(I)> | 8.94 | 0.7 |
| Completeness [%] | 74.3 | 13.7 |
| Redundancy | 2.7 | 1.6 |
| CC(1/2) | 0.999 | 0.359 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M MES/Imidazole buffer, pH 6.5, 10% PEG 1000, 10 % PEG 3350, 10 % MPD, 0.03 M divalent cations |
