6RX9
Crystal structure of TetR from Acinetobacter baumannii AYE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 2 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-07-15 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 43.330, 85.110, 62.350 |
| Unit cell angles | 90.00, 109.46, 90.00 |
Refinement procedure
| Resolution | 48.370 - 1.800 |
| R-factor | 0.2093 |
| Rwork | 0.208 |
| R-free | 0.23690 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1a6i |
| RMSD bond length | 0.002 |
| RMSD bond angle | 1.131 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.32) |
| Phasing software | MrBUMP |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.370 | 1.840 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.061 | |
| Rmeas | 0.063 | |
| Rpim | 0.017 | 0.518 |
| Total number of observations | 538887 | |
| Number of reflections | 39419 | 2305 |
| <I/σ(I)> | 20.3 | |
| Completeness [%] | 99.7 | 99.5 |
| Redundancy | 13.7 | 13.9 |
| CC(1/2) | 0.999 | 0.732 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 8.5 | 291 | 0.1 M Tris, pH8.5, 0.2 M Magnesium chloride hexahydrate, 0.2 M Sodium sulfate, and 25% PEG2000 MME |
