3W4O
Crystal structure of PenI beta-lactamase from Burkholderia pseudomallei at pH9.5
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 |
| Collection date | 2010-11-20 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 41.395, 52.771, 50.471 |
| Unit cell angles | 90.00, 92.55, 90.00 |
Refinement procedure
| Resolution | 15.000 - 1.180 |
| R-factor | 0.115 |
| Rwork | 0.114 |
| R-free | 0.15280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2p74 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 0.031 |
| 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] | 1.180 |
| Rmerge | 0.088 |
| Number of reflections | 68591 |
| <I/σ(I)> | 14.8 |
| Completeness [%] | 96.4 |
| Redundancy | 4.04 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9.5 | 298 | 25% PEG8000, 0.1M CHESS, pH 9.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
