3FOF
Structural insight into the quinolone-DNA cleavage complex of type IIA topoisomerases
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-06-27 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 32 |
| Unit cell lengths | 121.601, 121.601, 178.699 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 34.066 - 4.000 |
| R-factor | 0.2441 |
| Rwork | 0.239 |
| R-free | 0.28920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB ENTRIES 2NOV and 2RGR |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.208 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 34.067 |
| High resolution limit [Å] | 3.200 |
| Number of reflections | 44580 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 295 | 50mM Na cacodylate, 100mM Ammonium acetate, 15mM Magnesium acetate, 7.5% isopropanol, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | Na cacodylate | ||
| 2 | 1 | 1 | Ammonium acetate | ||
| 3 | 1 | 1 | Magnesium acetate | ||
| 4 | 1 | 1 | isopropanol | ||
| 5 | 1 | 2 | Na cacodylate | ||
| 6 | 1 | 2 | Ammonium acetate | ||
| 7 | 1 | 2 | Magnesium acetate |
