5EUA
Crystal structure of extended-spectrum beta-lactamase BEL-1 in complex with Moxalactam
Replaces: 4MXHExperimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-07-05 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.920 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 70.530, 80.910, 86.640 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.580 - 1.850 |
| R-factor | 0.168 |
| Rwork | 0.166 |
| R-free | 0.21500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5eoe |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.697 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.580 | 1.950 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.080 | 0.427 |
| Number of reflections | 42901 | |
| <I/σ(I)> | 12.6 | 3.8 |
| Completeness [%] | 99.7 | 100 |
| Redundancy | 6.2 | 6.5 |
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 |
