9N26
DNA gyrase complexed with uncleaved DNA and Compound 148 to 1.96 A resolution
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-12-10 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97911 |
| Spacegroup name | P 61 |
| Unit cell lengths | 92.937, 92.937, 405.763 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.697 - 1.963 |
| Rwork | 0.171 |
| R-free | 0.21670 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.937 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0430) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.000 |
| High resolution limit [Å] | 1.960 | 1.960 |
| Rmerge | 0.135 | 1.491 |
| Rpim | 0.049 | 0.808 |
| Number of reflections | 139668 | 6802 |
| <I/σ(I)> | 18.4 | |
| Completeness [%] | 99.6 | 97.1 |
| Redundancy | 8.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.2 | 298 | 15% PEG 5000 MME, 0.1M Bis-Tris pH 6.2 |
