2GVV
Structure of diisopropyl fluorophosphatase (DFPase) in complex with dicyclopentylphosphoroamidate (DcPPA)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 298 |
Detector technology | IMAGE PLATE |
Collection date | 2004-05-20 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 43.600, 83.020, 87.470 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.730 |
R-factor | 0.187 |
Rwork | 0.187 |
R-free | 0.21600 |
Structure solution method | MOLECULAR REPLACEMENT |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 1.790 |
High resolution limit [Å] | 1.730 | 3.730 | 1.730 |
Rmerge | 0.061 | 0.035 | 0.466 |
Number of reflections | 32028 | 3551 | 2884 |
<I/σ(I)> | 22 | ||
Completeness [%] | 94.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | PEG 4000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |