2O4M
Structure of Phosphotriesterase mutant I106G/F132G/H257Y
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X6A |
| Synchrotron site | NSLS |
| Beamline | X6A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-07-19 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 |
| Unit cell lengths | 56.759, 68.906, 89.670 |
| Unit cell angles | 90.03, 100.29, 94.12 |
Refinement procedure
| Resolution | 28.330 - 1.640 |
| R-factor | 0.192 |
| Rwork | 0.189 |
| R-free | 0.24400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1p6b |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.560 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.330 | 1.640 |
| High resolution limit [Å] | 1.580 | 1.580 |
| Rmerge | 0.075 | 0.397 |
| Number of reflections | 169088 | |
| <I/σ(I)> | 8.4 | 1.53 |
| Completeness [%] | 93.1 | 73.5 |
| Redundancy | 1.9 | 1.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | Zinc acetate 0.2 M, Sodium Cacodylate 0.1 M, PEG MME 12 %, pH 6.5, Vapor diffusion, Hanging drop, temperature 293K |
