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 |