3LTN
Inhibitor-stabilized topoisomerase IV-DNA cleavage complex (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 | CCD |
| Collection date | 2009-08-07 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 32 |
| Unit cell lengths | 122.507, 122.507, 178.303 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 34.127 - 3.100 |
| R-factor | 0.1902 |
| Rwork | 0.186 |
| R-free | 0.22770 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3fof |
| RMSD bond length | 0.025 |
| RMSD bond angle | 1.308 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.210 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Rmerge | 0.075 | 0.408 |
| Number of reflections | 53890 | |
| <I/σ(I)> | 17.159 | 3.563 |
| Completeness [%] | 99.2 | 100 |
| Redundancy | 5.8 | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 295 | 4-5% isopropanol, optimised mixture of salts, 50mM Na cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
