2OB3
Structure of Phosphotriesterase mutant H257Y/L303T
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-08-10 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 1 |
| Unit cell lengths | 43.362, 45.374, 79.211 |
| Unit cell angles | 104.86, 93.27, 97.81 |
Refinement procedure
| Resolution | 30.000 - 1.040 |
| R-factor | 0.105 |
| Rwork | 0.105 |
| R-free | 0.12700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1p6b |
| RMSD bond length | 0.015 |
| RMSD bond angle | 0.029 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | SHELX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.080 |
| High resolution limit [Å] | 1.040 | 1.040 |
| Rmerge | 0.061 | 0.188 |
| Number of reflections | 235873 | |
| <I/σ(I)> | 15.6 | 6.3 |
| Completeness [%] | 85.5 | 41.4 |
| Redundancy | 3.4 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.1M bis tris, pH 6.5, 12% PEG MME 5000, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
