6B4R
The crystal structure of the aldehyde dehydrogenase KauB from Pseudomonas aeruginosa
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 | PIXEL |
| Collection date | 2016-10-20 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 177.637, 93.811, 128.864 |
| Unit cell angles | 90.00, 92.28, 90.00 |
Refinement procedure
| Resolution | 46.125 - 2.550 |
| R-factor | 0.1806 |
| Rwork | 0.178 |
| R-free | 0.23350 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4lih |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.594 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8.1_1168) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.125 | 2.641 |
| High resolution limit [Å] | 2.550 | 2.550 |
| Rmerge | 0.111 | 0.370 |
| Rpim | 0.049 | 0.158 |
| Number of reflections | 68734 | 10041 |
| <I/σ(I)> | 10.5 | 4.4 |
| Completeness [%] | 99.4 | 99.6 |
| Redundancy | 6.3 | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291.15 | 0.17 M SODIUM ACETATE TRIHYDRATE, 0.1 M TRIS HYDROCHLORIDE PH 8.5, 25.5% W/V POLYETHYLENE GLYCOL 4,000, 15% V/V GLYCEROL. |
