7PSF
Crystal Structure of a Class D Carbapenemase Complexed with Imipenem
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-12-14 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.918380 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 83.420, 107.600, 124.590 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.390 - 2.100 |
| Rwork | 0.241 |
| R-free | 0.27780 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4s2p |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.523 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.390 | 2.150 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Number of reflections | 66086 | 4413 |
| <I/σ(I)> | 8.2 | 1 |
| Completeness [%] | 99.9 | |
| Redundancy | 13.6 | |
| CC(1/2) | 0.998 | 0.695 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | HEPES pH 7.5 no Cl-, 11.6% PEG8000, 8% 1-BuOH mixed with the 10 mg/mL protein stock at 1:1 ratio. |
