2XDO
Structure of the Tetracycline degrading Monooxygenase TetX2 from Bacteroides thetaiotaomicron
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 | 2011-11-13 |
Detector | MARRESEARCH |
Spacegroup name | P 1 |
Unit cell lengths | 68.110, 80.270, 86.890 |
Unit cell angles | 111.00, 90.23, 93.43 |
Refinement procedure
Resolution | 40.540 - 2.090 |
R-factor | 0.19192 |
Rwork | 0.190 |
R-free | 0.22993 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | SELENOMETHIONINE DERIVATIVE |
RMSD bond length | 0.023 |
RMSD bond angle | 2.067 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.060 | 2.200 |
High resolution limit [Å] | 2.090 | 2.090 |
Rmerge | 0.060 | 0.360 |
Number of reflections | 91733 | |
<I/σ(I)> | 7.5 | 2 |
Completeness [%] | 92.2 | 64 |
Redundancy | 2.2 | 2.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 1.5 M AMMONIUM SULFATE, 0.1 M SODIUM CITRATE PH 7 |