3LI5
Diisopropyl fluorophosphatase (DFPase), E21Q,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 | 42.900, 82.000, 86.300 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.442 - 1.360 |
| R-factor | 0.199 |
| Rwork | 0.199 |
| R-free | 0.21300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2gvw |
| Data scaling software | SCALA (3.2.5) |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 38.442 | 38.440 | 1.280 |
| High resolution limit [Å] | 1.213 | 3.830 | 1.213 |
| Rmerge | 0.099 | 0.054 | 0.542 |
| Total number of observations | 16275 | 4633 | |
| Number of reflections | 68540 | ||
| <I/σ(I)> | 12.7 | 10.3 | 1.2 |
| Completeness [%] | 73.8 | 96.3 | 13.5 |
| Redundancy | 5.8 | 5.3 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 15% PEG 3550, 0.1 M MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
