2Y6R
Structure of the TetX monooxygenase in complex with the substrate 7- chlortetracycline
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.3 |
Synchrotron site | BESSY |
Beamline | 14.3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-11-25 |
Detector | MARRESEARCH SX-165 |
Spacegroup name | P 1 |
Unit cell lengths | 67.416, 78.870, 86.609 |
Unit cell angles | 110.99, 90.27, 92.87 |
Refinement procedure
Resolution | 48.330 - 3.100 |
R-factor | 0.22672 |
Rwork | 0.225 |
R-free | 0.25616 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2xdo |
RMSD bond length | 0.012 |
RMSD bond angle | 1.439 |
Data reduction software | XDS |
Data scaling software | SCALEPACK |
Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.330 | 3.210 |
High resolution limit [Å] | 3.090 | 3.090 |
Rmerge | 0.110 | 0.430 |
Number of reflections | 29712 | |
<I/σ(I)> | 9.6 | 2.1 |
Completeness [%] | 96.2 | 92.5 |
Redundancy | 2.2 | 2.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | pH 7 |