9FZ6
A 2.58A crystal structure of S. aureus DNA gyrase and DNA with metals identified through anomalous scattering
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I23 |
| Synchrotron site | Diamond |
| Beamline | I23 |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2024-01-31 |
| Detector | DECTRIS PILATUS 12M |
| Wavelength(s) | 1.8785 |
| Spacegroup name | P 61 |
| Unit cell lengths | 93.633, 93.633, 410.874 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 57.720 - 2.580 |
| R-factor | 0.1522 |
| Rwork | 0.140 |
| R-free | 0.19970 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.280 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.21_5207: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 57.720 | 2.740 |
| High resolution limit [Å] | 2.580 | 2.580 |
| Rmerge | 0.231 | 3.783 |
| Rmeas | 0.233 | 3.836 |
| Rpim | 0.031 | 0.619 |
| Total number of observations | 319075 | |
| Number of reflections | 63516 | 10183 |
| <I/σ(I)> | 22.1 | 1.5 |
| Completeness [%] | 100.0 | |
| Redundancy | 55.4 | 31.3 |
| CC(1/2) | 1.000 | 0.542 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 6.1 | 293.15 | PEG 5000 MME, 150 mM BisTris pH 6.1, 20 mM HEPES pH 7.0 |
