5CDN
2.8A structure of etoposide with S.aureus DNA gyrase and DNA
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 | 2011-01-19 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.950 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 89.782, 170.081, 124.540 |
| Unit cell angles | 90.00, 102.27, 90.00 |
Refinement procedure
| Resolution | 39.350 - 2.790 |
| R-factor | 0.2143 |
| Rwork | 0.213 |
| R-free | 0.24200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2xcs |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.980 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.5) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 40.000 | 40.000 | 2.850 |
| High resolution limit [Å] | 2.800 | 7.580 | 2.800 |
| Rmerge | 0.103 | 0.060 | 0.399 |
| Number of reflections | 87189 | ||
| <I/σ(I)> | 10.1 | ||
| Completeness [%] | 96.6 | 91.7 | 96.1 |
| Redundancy | 3 | 3 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 6.2 | 293 | 150mM Bis Tris pH6.2, 11% PEG 5000 MME |
