4Z3O
Quinolone(Moxifloxacin)-DNA cleavage complex of topoisomerase IV 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 | 2012-03-04 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.97630 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 157.760, 157.760, 211.020 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 70.340 - 3.440 |
| R-factor | 0.1834 |
| Rwork | 0.182 |
| R-free | 0.21200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3k9f |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.632 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 70.340 | 3.250 |
| High resolution limit [Å] | 3.170 | 3.170 |
| Rmerge | 0.093 | 0.950 |
| Number of reflections | 52030 | |
| <I/σ(I)> | 5.9986 | 0.8 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 10.1 | 9.76 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 297 | 50 mM Na Cacodylate, 100-150 mM NaCl, 4-7% isopropanol |
