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% |