5EPH
Crystal structure of extended-spectrum beta-lactamase BEL-1 in complex with Imipenem
Replaces: 4MXBExperimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-04-13 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.976 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.980, 95.860, 103.420 |
| Unit cell angles | 90.00, 91.97, 90.00 |
Refinement procedure
| Resolution | 51.680 - 1.790 |
| R-factor | 0.16545 |
| Rwork | 0.164 |
| R-free | 0.20239 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5eoe |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.767 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 51.680 | 1.890 |
| High resolution limit [Å] | 1.790 | 1.790 |
| Rmerge | 0.084 | 0.388 |
| Number of reflections | 91836 | |
| <I/σ(I)> | 7.5 | 2.7 |
| Completeness [%] | 93.2 | 96.4 |
| Redundancy | 2.4 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 298 | 20% PEG4600, 20% MPD, 0.1M sodium citrate, pH 5.6 |
