8EP6
Crystal Structure of the Beta-lactamase Class D from Chitinophaga pinensis in complex with Avibactam
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-12-16 |
| Detector | DECTRIS PILATUS3 X 6M |
| Wavelength(s) | 0.97926 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 48.816, 67.864, 68.698 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.350 - 1.500 |
| R-factor | 0.147 |
| Rwork | 0.145 |
| R-free | 0.18670 |
| Structure solution method | SAD |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.249 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.131 | 0.845 |
| Rpim | 0.056 | 0.375 |
| Number of reflections | 37009 | 1838 |
| <I/σ(I)> | 16 | 3.2 |
| Completeness [%] | 99.5 | 99.1 |
| Redundancy | 6.2 | 5.8 |
| CC(1/2) | 0.985 | 0.769 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 0.1 M imidazole, pH 6.5, 0.2 M sodium acetate |
