6BPG
Crystal structure of betaine aldehyde dehydrogenase from Pseudomonas aeruginosa with bound rubidium ions
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-03-12 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9793 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 325.954, 130.358, 100.695 |
| Unit cell angles | 90.00, 94.93, 90.00 |
Refinement procedure
| Resolution | 29.220 - 3.086 |
| R-factor | 0.1835 |
| Rwork | 0.181 |
| R-free | 0.23400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2wme |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.072 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.220 | 3.250 |
| High resolution limit [Å] | 3.086 | 3.086 |
| Rmerge | 0.124 | 0.458 |
| Rpim | 0.085 | 0.318 |
| Number of reflections | 76018 | 10109 |
| <I/σ(I)> | 7.3 | 2.6 |
| Completeness [%] | 98.2 | 89.5 |
| Redundancy | 3 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 0.085 M HEPES PH 7.5, 8.5% (V:V) ISOPROPANOL, 17% (W:V)PEG 4000, 15% (V:V) GLYCEROL, 0.150 M RUBIDIUM CHLORIDE |
