7DJS
Crystal structure of isopiperitenol dehydrogenase from Pseudomonas aeruginosa complexed with NAD
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-10-12 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9789 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 67.201, 108.582, 124.609 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.230 - 1.700 |
| R-factor | 0.1624 |
| Rwork | 0.161 |
| R-free | 0.18620 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5x8h |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX (1.17_3644) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Number of reflections | 100875 | 5009 |
| <I/σ(I)> | 27 | |
| Completeness [%] | 99.9 | |
| Redundancy | 13 | |
| CC(1/2) | 0.992 | 0.952 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.25 | 291 | 100mM MES-imidazole pH 6.25, 30mM sodium nitrate, 30mM disodium hydrogen phosphate, 30mM ammonium sulfate, 20% v/v PEG 500MME, 10% w/v PEG 20000 |
