2O7O
Crystal structure analysis of TetR(D) complex with doxycycline
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X13 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X13 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-04-01 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.8011 |
| Spacegroup name | I 41 2 2 |
| Unit cell lengths | 65.830, 65.830, 179.502 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.340 - 1.890 |
| R-factor | 0.20419 |
| Rwork | 0.202 |
| R-free | 0.24323 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2tct |
| RMSD bond length | 0.023 |
| RMSD bond angle | 1.974 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.340 | 1.930 |
| High resolution limit [Å] | 1.890 | 1.890 |
| Number of reflections | 16248 | |
| <I/σ(I)> | 29.6 | 7.3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 15.8 | 10.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 293 | 1.1M AMMONIUM SULPHATE, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
