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 |