4KOE
Quinolone(Trovafloxacin)-DNA cleavage complex of type IV topoisomerase from S. pneumoniae
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-02-11 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97630 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 158.040, 158.040, 210.420 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 62.420 - 3.020 |
| R-factor | 0.1771 |
| Rwork | 0.175 |
| R-free | 0.21010 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.201 |
| Data reduction software | xia2 |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.7.2_869)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 62.420 | 3.120 |
| High resolution limit [Å] | 3.020 | 3.020 |
| Rmerge | 0.080 | 0.380 |
| Number of reflections | 60245 | |
| <I/σ(I)> | 10.14 | 1.96 |
| Completeness [%] | 100.0 | 99.91 |
| Redundancy | 19.59 | 20.48 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 295 | 50 mM Na Cacodylate, 4-7% isopropanol, optimized mixture of salts, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
