4J2M
Molecular Engineering of Organophosphate Hydrolysis Activity from a Weak Promiscuous Lactonase Template
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 61.779, 61.779, 203.707 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.365 - 1.786 |
| R-factor | 0.2211 |
| Rwork | 0.220 |
| R-free | 0.25050 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.337 |
| Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 47.370 |
| High resolution limit [Å] | 1.790 |
| Number of reflections | 43548 |
| Completeness [%] | 99.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.5 | 0.1 M MES pH 6.5, 1.3 M MgSO4, VAPOR DIFFUSION |
