9C84
X-ray crystal structure of AmpC beta-lactamase with inhibitor
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-10-21 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.11583 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 119.190, 76.280, 98.100 |
| Unit cell angles | 90.00, 116.00, 90.00 |
Refinement procedure
| Resolution | 58.570 - 1.700 |
| R-factor | 0.1627 |
| Rwork | 0.162 |
| R-free | 0.18780 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.903 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 58.570 | 1.761 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.018 | 0.090 |
| Number of reflections | 79680 | 5027 |
| <I/σ(I)> | 24.78 | 7.04 |
| Completeness [%] | 91.7 | 58.24 |
| Redundancy | 1.99 | 1.99 |
| CC(1/2) | 0.999 | 0.977 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293.15 | 2M KPI; pH 8.56 |
