3LI4
Diisopropyl fluorophosphatase (DFPase), N120D,N175D,D229N mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM30A |
| Synchrotron site | ESRF |
| Beamline | BM30A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-02-25 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.931 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 42.700, 81.400, 86.200 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 23.481 - 1.350 |
| R-factor | 0.214 |
| Rwork | 0.214 |
| R-free | 0.23200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2gvw |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.2.5) |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 23.481 | 1.280 |
| High resolution limit [Å] | 1.210 | 1.210 |
| Rmerge | 0.119 | 0.882 |
| Total number of observations | 4014 | |
| Number of reflections | 69458 | |
| <I/σ(I)> | 10 | 0.6 |
| Completeness [%] | 75.1 | 16.7 |
| Redundancy | 5.4 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 14% PEG 3350, 0.1 M MES buffer, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
