2O4Q
Structure of Phosphotriesterase mutant G60A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X3A |
| Synchrotron site | NSLS |
| Beamline | X3A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.97904 |
| Spacegroup name | P 1 |
| Unit cell lengths | 55.295, 68.299, 90.030 |
| Unit cell angles | 90.05, 100.42, 89.96 |
Refinement procedure
| Resolution | 31.640 - 1.950 |
| R-factor | 0.168 |
| Rwork | 0.164 |
| R-free | 0.22600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1p6b |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.424 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.640 | 2.020 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.076 | 0.242 |
| Number of reflections | 91515 | |
| <I/σ(I)> | 7.7 | 3.39 |
| Completeness [%] | 96.3 | 80.7 |
| Redundancy | 3 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.2M Mg acetate, 0.1M Na-cacodylate, 20% PEG 8000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
