3E3H
Crystal structure of the OP hydrolase mutant from Brevundimonas diminuta
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 120 |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-04-21 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54178 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 128.797, 90.596, 69.145 |
| Unit cell angles | 90.00, 91.74, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.150 |
| R-factor | 0.189 |
| Rwork | 0.189 |
| R-free | 0.21800 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1qw7 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.310 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.230 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.060 | 0.102 |
| Number of reflections | 43261 | |
| <I/σ(I)> | 55 | 28.1 |
| Completeness [%] | 93.2 | 74.4 |
| Redundancy | 3.8 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | 10% PEG 6000, 0.1 M HEPES pH 7.0, 1% EBP (diethyl 4-methylbenzylphosphonate), a substrate analog for demeton-S, 5 mM Sodium azide, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
