9D78
Apo-OXA-58 carbapenemase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-05-28 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 37.018, 66.356, 192.128 |
| Unit cell angles | 90.00, 91.21, 90.00 |
Refinement procedure
| Resolution | 38.930 - 1.900 |
| R-factor | 0.19709 |
| Rwork | 0.195 |
| R-free | 0.23296 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 1.012 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.930 | 1.940 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmeas | 0.158 | |
| Rpim | 0.059 | 0.650 |
| Number of reflections | 72794 | 4499 |
| <I/σ(I)> | 8 | 1.4 |
| Completeness [%] | 99.0 | |
| Redundancy | 7.1 | |
| CC(1/2) | 0.997 | 0.629 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | 0.2 M sodium acetate, 0.1 M Tris-HCl pH 8.5, 30% PEG4000 |
