7PFN
Acetyllysine73-incorporated OXA-48 complexed with imipenem in both active and inactive acyl-enzyme intermediates
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-07-07 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.976292 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 44.799, 104.995, 124.745 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 62.370 - 1.800 |
| Rwork | 0.178 |
| R-free | 0.21370 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4s2p |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.539 |
| 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] | 62.370 | 1.840 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 55552 | 3253 |
| <I/σ(I)> | 9.9 | 1.1 |
| Completeness [%] | 100.0 | |
| Redundancy | 11.4 | |
| CC(1/2) | 0.997 | 0.588 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 0.1M HEPES pH 7.5, 11.6% PEG8000, 8% 1-BuOH, mixed with the 10 mg/mL protein stock at 1:1 ratio. |
