2O7V
Carboxylesterase AeCXE1 from Actinidia eriantha covalently inhibited by paraoxon
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 110 |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-07-08 |
| Detector | MAR scanner 345 mm plate |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 156.078, 53.908, 42.366 |
| Unit cell angles | 90.00, 102.21, 90.00 |
Refinement procedure
| Resolution | 33.500 - 2.300 |
| R-factor | 0.18963 |
| Rwork | 0.187 |
| R-free | 0.24868 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 207R |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.883 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.500 | 2.420 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Number of reflections | 14481 | |
| <I/σ(I)> | 14.8 | 3.7 |
| Completeness [%] | 94.0 | 90 |
| Redundancy | 4.6 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | 21% mPEG 5000, 0.2 M malic/KOH pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
