8C0S
Crystal structure of S. aureus BlaR1 sensor domain in complex with an imidazole inhibitor
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 | 2021-10-14 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.027, 107.943, 56.390 |
| Unit cell angles | 90.00, 109.45, 90.00 |
Refinement procedure
| Resolution | 47.698 - 2.000 |
| Rwork | 0.188 |
| R-free | 0.23230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.288 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0349) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.700 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.050 | 1.758 |
| Rpim | 0.022 | 0.767 |
| Number of reflections | 35815 | 2645 |
| <I/σ(I)> | 15.4 | 1.1 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 6.2 | 6.2 |
| CC(1/2) | 0.999 | 0.589 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 291 | Sodium Cacodylate 0.085M pH 6.0 + PEG 8K 21% + Glycerol 15% |
