8BP2
2.8A STRUCTURE OF ZOLIFLODACIN WITH S.AUREUS DNA GYRASE AND DNA
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-08-08 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.9999 |
| Spacegroup name | P 61 |
| Unit cell lengths | 94.542, 94.542, 417.134 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 24.854 - 2.800 |
| Rwork | 0.191 |
| R-free | 0.23140 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 5cdm |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.722 |
| Data reduction software | DIALS |
| Data scaling software | DIALS |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.830 |
| High resolution limit [Å] | 2.780 | 2.780 |
| Number of reflections | 52704 | 2554 |
| <I/σ(I)> | 5.9 | |
| Completeness [%] | 100.0 | |
| Redundancy | 18.5 | |
| CC(1/2) | 0.997 | 0.318 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 6.3 | 293 | 90 mM bistris pH 6.3, 9% PEG 5000MME |
