6TTG
Crystal structure of the ATP binding domain of S. aureus GyrB complexed with LMD62
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-03-02 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 142.700, 55.360, 50.810 |
| Unit cell angles | 90.00, 100.42, 90.00 |
Refinement procedure
| Resolution | 51.500 - 1.700 |
| R-factor | 0.1873 |
| Rwork | 0.186 |
| R-free | 0.21130 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5cph |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.736 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 51.500 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.043 | 1.433 |
| Number of reflections | 42170 | 2060 |
| <I/σ(I)> | 15.6 | 1 |
| Completeness [%] | 98.0 | 97.3 |
| Redundancy | 5.1 | 5.3 |
| CC(1/2) | 0.999 | 0.475 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.1 M HEPES/MOPS pH 7.5 0.03 M magnesium chloride 0.03 M calcium chloride 25 % v/v MPD 25% v/v PEG 1000 25% w/v PEG 3350 |
