5JFN
Crystal structure of Rhodopseudomonas palustris propionaldehyde dehydrogenase with bound CoA and acylated Cys330
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.3 |
| Synchrotron site | ALS |
| Beamline | 5.0.3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-09-14 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.977408 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 83.188, 106.452, 125.733 |
| Unit cell angles | 90.00, 109.03, 90.00 |
Refinement procedure
| Resolution | 39.198 - 1.900 |
| R-factor | 0.1619 |
| Rwork | 0.162 |
| R-free | 0.18650 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4c3s |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.717 |
| 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] | 39.200 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.021 | 0.839 |
| Number of reflections | 162389 | |
| <I/σ(I)> | 12.8 | 2.1 |
| Completeness [%] | 99.7 | 98.3 |
| Redundancy | 4.4 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 295 | 100 mM HEPES-NaOH, pH 7.0, 19% w/v PEG4000, 4 mM propionyl-CoA |
