7O5N
Crystal Structure of a Class D carbapenemase complexed with Avibactam
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2019-04-28 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.979191 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 89.749, 107.959, 125.675 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 73.144 - 1.600 |
| Rwork | 0.188 |
| R-free | 0.21570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4s2p |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.589 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 81.890 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Number of reflections | 160843 | 7915 |
| <I/σ(I)> | 12.1 | 1.2 |
| Completeness [%] | 99.9 | |
| Redundancy | 13.2 | |
| CC(1/2) | 0.999 | 0.747 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 291 | 0.1M HEPES,pH=8.0, 10%PEG 8000, 4% 1-butanol, 10mM Avibactam, mixed with the 10 mg/mL protein stock at 1:1 ratio. |
