9N39
DNA gyrase complexed with uncleaved DNA and Compound 185 to 2.25 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 | 2021-03-17 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97911 |
| Spacegroup name | P 61 |
| Unit cell lengths | 93.479, 93.479, 410.378 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 23.890 - 2.255 |
| Rwork | 0.202 |
| R-free | 0.25580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 2.084 |
| 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] | 23.890 | 2.290 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.296 | 2.980 |
| Rpim | 0.146 | 2.020 |
| Number of reflections | 93806 | 4536 |
| <I/σ(I)> | 5.4 | |
| Completeness [%] | 99.1 | 95.8 |
| Redundancy | 4.6 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 298 | 50 mM Bis-Tris pH 6.0, 15.33% PEG5000 MME |
