1QW7
Structure of an Engineered Organophosphorous Hydrolase with Increased Activity Toward Hydrolysis of Phosphothiolate Bonds
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.15 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 126.719, 89.879, 68.337 |
| Unit cell angles | 90.00, 91.73, 90.00 |
Refinement procedure
| Resolution | 49.500 - 1.900 |
| R-factor | 0.179 |
| Rwork | 0.179 |
| R-free | 0.23000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dpm |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.700 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.500 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.115 | 0.244 |
| Number of reflections | 48009 | |
| <I/σ(I)> | 10.4 | 3.2 |
| Completeness [%] | 79.4 | 43.6 |
| Redundancy | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9 | 293 | 9% PEG 6000, 1% 4-metylbenzylphosphonate, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
