2NWQ
Short chain dehydrogenase from Pseudomonas aeruginosa
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source details | OTHER |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-12-12 |
| Detector | MAR CCD 165 mm |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 64.982, 107.920, 71.457 |
| Unit cell angles | 90.00, 102.92, 90.00 |
Refinement procedure
| Resolution | 23.000 - 2.300 |
| R-factor | 0.16632 |
| Rwork | 0.164 |
| R-free | 0.21887 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.367 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.072 | 0.163 |
| Number of reflections | 38911 | |
| <I/σ(I)> | 18.7 | 4.2 |
| Completeness [%] | 96.0 | 95 |
| Redundancy | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 0.1M HEPES pH 7.5-8.5, 22% PEG4000, 0.2-0.3M ammonium sulphate, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
