3OA2
Crystal structure of the WlbA (WbpB) dehydrogenase from Pseudomonas aeruginosa in complex with NAD at 1.5 angstrom resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-11-14 |
| Detector | ADSC QUANTUM 210r |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 73.215, 129.562, 145.237 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.500 |
| R-factor | 0.204 |
| Rwork | 0.201 |
| R-free | 0.24400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3o9z |
| RMSD bond length | 0.013 |
| RMSD bond angle | 2.079 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.063 | 0.334 |
| Number of reflections | 206888 | |
| <I/σ(I)> | 33.8 | 2.3 |
| Completeness [%] | 93.5 | 87.6 |
| Redundancy | 6.2 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 298 | 16-22% PEG5000, 2% 1,2-ethanediol, 100 mM PIPES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
