9MAR
Serine Beta Lactamase OXA-48 in Complex with Dual MBL/SBL Inhibitor 19
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 195 |
| Detector technology | PIXEL |
| Collection date | 2024-12-24 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 105.051, 58.464, 105.840 |
| Unit cell angles | 90.00, 104.98, 90.00 |
Refinement procedure
| Resolution | 41.820 - 2.374 |
| R-factor | 0.1915 |
| Rwork | 0.189 |
| R-free | 0.25910 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.359 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.440 |
| High resolution limit [Å] | 2.370 | 10.380 | 2.370 |
| Number of reflections | 50597 | 664 | 3700 |
| <I/σ(I)> | 21.11 | ||
| Completeness [%] | 100.0 | ||
| Redundancy | 6.35 | ||
| CC(1/2) | 0.838 | 0.163 | 0.948 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M Hepes, pH7.5, 5% 1-butanol, 28-35% PEG8000 |
