3HLH
Diisopropyl fluorophosphatase (DFPase), active site mutants
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-11-24 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.933 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 67.110, 74.390, 118.640 |
| Unit cell angles | 90.00, 99.90, 90.00 |
Refinement procedure
| Resolution | 47.770 - 1.800 |
| R-factor | 0.195 |
| Rwork | 0.195 |
| R-free | 0.21800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2gvw |
| RMSD bond angle | 25.940 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 500.000 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.136 | 0.458 |
| Number of reflections | 105813 | |
| <I/σ(I)> | 5 | 1.6 |
| Completeness [%] | 99.2 | 98.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 2% Tacsimate, 16% PEG 3350, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
