3A16
Crystal Structure of Aldoxime Dehydratase (OxdRE) in Complex with Propionaldoxime
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL41XU |
Synchrotron site | SPring-8 |
Beamline | BL41XU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-06-30 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 62.710, 147.670, 78.910 |
Unit cell angles | 90.00, 90.01, 90.00 |
Refinement procedure
Resolution | 19.810 - 1.600 |
R-factor | 0.25 |
Rwork | 0.248 |
R-free | 0.27400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3a15 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.203 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (refmac_5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.640 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.080 | 0.347 |
Number of reflections | 188090 | 13912 |
<I/σ(I)> | 23.4 | 8.1 |
Completeness [%] | 99.9 | 100 |
Redundancy | 10 | 10 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 293 | 18% (W/V) PEG 4000, 0.075M sodium cacodylate, 0.1M magnesium acetate; crystal was soaked into propionaldoxime, pH 7.4, vapor diffusion, hanging drop, temperature 293K |