4DDW
Thermotoga maritima reverse gyrase, c-centered orthorhombic form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-11-28 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 174.325, 175.646, 104.135 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.749 - 3.900 |
| R-factor | 0.2129 |
| Rwork | 0.209 |
| R-free | 0.28880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ddt |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.600 |
| Data reduction software | XDS ((VERSION December 6) |
| Data scaling software | SADABS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: dev_881)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.980 | 4.000 |
| High resolution limit [Å] | 3.900 | 3.900 |
| Rmerge | 0.162 | 0.827 |
| Number of reflections | 14481 | |
| <I/σ(I)> | 7.7 | 1.23 |
| Completeness [%] | 96.9 | 94 |
| Redundancy | 5.45 | 5.54 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 295 | 0.2M Mg(OAc)2, 20% PEG3350, 0.15M sodium citrate, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
