5CDO
3.15A structure of QPT-1 with S.aureus DNA gyrase and DNA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-06-22 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97627 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 90.472, 170.211, 124.579 |
| Unit cell angles | 90.00, 102.75, 90.00 |
Refinement procedure
| Resolution | 58.415 - 3.150 |
| R-factor | 0.2163 |
| Rwork | 0.215 |
| R-free | 0.24650 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.972 |
| Data scaling software | Aimless (3.3.16) |
| Phasing software | PHENIX |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 58.420 | 58.420 | 3.260 |
| High resolution limit [Å] | 3.150 | 12.200 | 3.150 |
| Rmerge | 0.126 | 0.062 | 0.414 |
| Rpim | 0.087 | 0.043 | 0.286 |
| Total number of observations | 185026 | 3154 | 18472 |
| Number of reflections | 62354 | ||
| <I/σ(I)> | 7.7 | 15.4 | 2.8 |
| Completeness [%] | 98.2 | 94.9 | 98.7 |
| Redundancy | 3 | 2.9 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 6.2 | 293 | 150mM BisTris pH6.2, 11% PEG 5000 MME |
