4A6N
STRUCTURE OF THE TETRACYCLINE DEGRADING MONOOXYGENASE TETX IN COMPLEX WITH TIGECYCLINE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-04-28 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 1 |
| Unit cell lengths | 68.880, 80.790, 87.650 |
| Unit cell angles | 110.84, 89.84, 93.63 |
Refinement procedure
| Resolution | 81.900 - 2.300 |
| R-factor | 0.22033 |
| Rwork | 0.218 |
| R-free | 0.26024 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2xdo |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.759 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0116) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 81.897 | 2.420 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.088 | 0.622 |
| Number of reflections | 75167 | |
| <I/σ(I)> | 9.1 | 2 |
| Completeness [%] | 96.0 | 95.5 |
| Redundancy | 3.9 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | pH 7 |
