3W4P
Crystal structure of PenI beta-lactamase from Burkholderia pseudomallei at pH7.5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NE3A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 41.354, 52.721, 50.523 |
| Unit cell angles | 90.00, 92.48, 90.00 |
Refinement procedure
| Resolution | 15.000 - 1.050 |
| R-factor | 0.1345 |
| Rwork | 0.135 |
| R-free | 0.16020 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | the structure of PenI at pH9.5(now diposited together with this) |
| RMSD bond length | 0.014 |
| RMSD bond angle | 0.029 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 1.050 |
| Rmerge | 0.092 |
| Number of reflections | 98393 |
| <I/σ(I)> | 13.6 |
| Completeness [%] | 97.8 |
| Redundancy | 3.82 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 25% PEG8000, 0.1M HEPES, 0.1M ammonium sulphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
