3LI3
Diisopropyl fluorophosphatase (DFPase), D121E mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-10-30 |
| Detector | MAR scanner 300 mm plate |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 43.400, 83.200, 87.200 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 21.090 - 1.660 |
| R-factor | 0.189 |
| Rwork | 0.189 |
| R-free | 0.20600 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2gvw |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 21.090 | 1.750 |
| High resolution limit [Å] | 1.660 | 1.660 |
| Rmerge | 0.082 | 0.640 |
| Number of reflections | 36203 | |
| <I/σ(I)> | 19.3 | 4.2 |
| Completeness [%] | 95.4 | 91.8 |
| Redundancy | 7 | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 15% PEG 3350, 0.1 M MES buffer, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
