8CF3
Crystal structure of S. aureus BlaR1 sensor domain in complex with cefepime
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-12-03 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0064 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.819, 109.470, 50.297 |
| Unit cell angles | 90.00, 103.66, 90.00 |
Refinement procedure
| Resolution | 45.537 - 2.520 |
| Rwork | 0.216 |
| R-free | 0.27000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.917 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0403) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.537 | 2.345 |
| High resolution limit [Å] | 2.153 | 2.153 |
| Rmerge | 0.130 | 1.772 |
| Rmeas | 0.142 | |
| Rpim | 0.057 | 0.865 |
| Number of reflections | 17584 | 880 |
| <I/σ(I)> | 9.186 | |
| Completeness [%] | 82.5 | |
| Redundancy | 6.05 | |
| CC(1/2) | 0.997 | 0.303 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.25 | 291 | Soidum Cacodylate 0.085M pH 5.5 + PEG 8K 27% + Glycerol 15% |
