5JFM
Crystal structure of Rhodopseudomonas palustris propionaldehyde dehydrogenase with bound propionyl-CoA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-12-20 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.00001 |
| Spacegroup name | P 1 |
| Unit cell lengths | 92.106, 105.775, 126.425 |
| Unit cell angles | 89.52, 71.00, 68.92 |
Refinement procedure
| Resolution | 39.259 - 2.516 |
| R-factor | 0.1726 |
| Rwork | 0.172 |
| R-free | 0.22370 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4c3s |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.797 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10_2152: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.260 | 2.650 |
| High resolution limit [Å] | 2.516 | 2.520 |
| Rmerge | 0.072 | 0.502 |
| Number of reflections | 135429 | |
| <I/σ(I)> | 11.3 | 2.3 |
| Completeness [%] | 95.5 | 91.8 |
| Redundancy | 2.3 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.8 | 295 | 50 mM sodium citrate, pH 4.8, 4% w/v PEG8000, 5 mM propionyl-CoA |
