7UGW
M. tuberculosis DNA gyrase cleavage core bound to DNA and evybactin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS-II BEAMLINE 17-ID-1 |
| Synchrotron site | NSLS-II |
| Beamline | 17-ID-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-12-04 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.9201 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 83.075, 105.088, 250.183 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.460 - 3.000 |
| R-factor | 0.2044 |
| Rwork | 0.201 |
| R-free | 0.28600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5bs8 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.555 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.460 | 3.107 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.140 | |
| Rmeas | 0.155 | |
| Rpim | 0.066 | |
| Number of reflections | 44612 | 4388 |
| <I/σ(I)> | 10.44 | |
| Completeness [%] | 99.6 | |
| Redundancy | 4 | |
| CC(1/2) | 0.995 | 0.822 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 7-12% PEG10K; 100mM MES pH 6.0; 200mM magnesium acetate |
