3HLI
diisopropyl fluorophosphatase (DFPase), active site mutants
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM16 |
| Synchrotron site | ESRF |
| Beamline | BM16 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-07-26 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.007 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 66.950, 74.490, 118.950 |
| Unit cell angles | 90.00, 100.00, 90.00 |
Refinement procedure
| Resolution | 24.820 - 1.400 |
| R-factor | 0.205 |
| Rwork | 0.205 |
| R-free | 0.22100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2gvw |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.455 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 500.000 | 1.450 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.053 | 0.308 |
| Number of reflections | 213535 | |
| <I/σ(I)> | 18.8 | 4.4 |
| Completeness [%] | 94.5 | 86.3 |
| Redundancy | 3.1 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 0.2M KCl, 0.05M HEPES pH 7.5, 35% Pentaerythriol propoxylate (5/4 PO/OH), VAPOR DIFFUSION, HANGING DROP, temperature 298K |
