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 |