6O9W
Crystal structure of Staphylococcus aureus BlaR1 antibiotic-sensor domain in complex with avibactam
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-02-18 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.355, 92.647, 56.472 |
| Unit cell angles | 90.00, 104.57, 90.00 |
Refinement procedure
| Resolution | 46.320 - 1.950 |
| R-factor | 0.1867 |
| Rwork | 0.185 |
| R-free | 0.22480 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1xa1 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER (2.8.2) |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.320 | 2.000 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.096 | 0.984 |
| Rmeas | 0.114 | 1.165 |
| Rpim | 0.061 | 0.618 |
| Total number of observations | 131091 | 9292 |
| Number of reflections | 38646 | 2689 |
| <I/σ(I)> | 6.7 | 0.9 |
| Completeness [%] | 99.7 | 99.6 |
| Redundancy | 3.4 | 3.5 |
| CC(1/2) | 0.997 | 0.610 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 296 | 200 mM tri-potassium citrate, 20% PEG3350 |
