7O9N
OXA-48 with carbamylated Lys73 in complex with bicarbonate ions at neutral pH
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 | 2020-12-14 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.976254 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 81.807, 106.404, 124.706 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 68.496 - 1.970 |
| Rwork | 0.195 |
| R-free | 0.28610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4s2p |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.466 |
| 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] | 81.810 | 2.010 |
| High resolution limit [Å] | 1.970 | 1.970 |
| Number of reflections | 77632 | 4552 |
| <I/σ(I)> | 6 | 1 |
| Completeness [%] | 100.0 | |
| Redundancy | 13.2 | |
| CC(1/2) | 0.995 | 0.582 |
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. |
