6S1S
Crystal structure of AmpC from Pseudomonas aeruginosa in complex with [3-(2-carboxyvinyl)phenyl]boronic acid] inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-04-29 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97779 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 82.678, 82.678, 123.563 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 46.780 - 1.780 |
| R-factor | 0.1778 |
| Rwork | 0.177 |
| R-free | 0.20028 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4gzb |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.548 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.780 | 1.810 |
| High resolution limit [Å] | 1.780 | 1.780 |
| Rmerge | 0.042 | |
| Number of reflections | 46605 | 2490 |
| <I/σ(I)> | 12.6 | |
| Completeness [%] | 97.8 | |
| Redundancy | 3.7 | |
| CC(1/2) | 0.999 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.7 | 294 | 1.8 M potassium phosphate buffer, pH 8.7 |
