6W33
Crystal Structure of Class A Beta-lactamase from Bacillus cereus in the Complex with the Beta-lactamase Inhibitor Clavulanate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-04-22 |
| Detector | DECTRIS PILATUS3 X 6M |
| Wavelength(s) | 0.97911 |
| Spacegroup name | P 1 |
| Unit cell lengths | 42.728, 43.643, 72.404 |
| Unit cell angles | 85.08, 88.25, 86.68 |
Refinement procedure
| Resolution | 37.130 - 1.850 |
| R-factor | 0.1853 |
| Rwork | 0.184 |
| R-free | 0.21650 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDBID 3QHY |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.847 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.880 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.128 | 0.581 |
| Number of reflections | 43737 | 2120 |
| <I/σ(I)> | 17 | 1.92 |
| Completeness [%] | 98.9 | 97.2 |
| Redundancy | 6 | 5.3 |
| CC(1/2) | 0.975 | 0.852 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | 0.2 M Magnesium chloride, 0.1 M MES pH 6.5 |
