3A17
Crystal Structure of Aldoxime Dehydratase (OxdRE) in Complex with Butyraldoxime (Co-crystal)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44B2 |
| Synchrotron site | SPring-8 |
| Beamline | BL44B2 |
| Temperature [K] | 90 |
| Detector technology | CCD |
| Collection date | 2008-06-30 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 |
| Unit cell lengths | 80.052, 103.931, 114.189 |
| Unit cell angles | 76.50, 89.46, 87.55 |
Refinement procedure
| Resolution | 19.900 - 2.500 |
| R-factor | 0.213 |
| Rwork | 0.211 |
| R-free | 0.24300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3a15 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.139 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (refmac_5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.079 | 0.293 |
| Number of reflections | 114706 | |
| <I/σ(I)> | 8.839 | 2.046 |
| Completeness [%] | 90.8 | 83.1 |
| Redundancy | 1.9 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 17% (W/V) PEG 2000MME, 0.1M Trizma/HCl, 0.2M calcium acetate, 2%(V/V) butyraldoxime, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
