1KB0
Crystal Structure of Quinohemoprotein Alcohol Dehydrogenase from Comamonas testosteroni
Experimental procedure
| Experimental method | OSCILLATION |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X11 |
| Temperature [K] | 120 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-09-27 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 0.9076 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 97.920, 74.331, 92.332 |
| Unit cell angles | 90.00, 105.67, 90.00 |
Refinement procedure
| Resolution | 50.000 * - 1.440 |
| R-factor | 0.16 |
| Rwork | 0.160 |
| R-free | 0.18800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1EEE (now known as 1FLG) |
| RMSD bond length | 0.018 |
| RMSD bond angle | 2.400 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | EPMR |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.460 |
| High resolution limit [Å] | 1.440 | 1.440 |
| Rmerge | 0.057 | 0.340 |
| Number of reflections | 111086 | |
| <I/σ(I)> | 16 | 2 |
| Completeness [%] | 96.2 | 87.7 |
| Redundancy | 2.2 | 1.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.7 | 277 | Oubrie, A., (2001) ACTA CRYSTALLOGR.,SECT.D, 57, 1732. * |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.7 | 277 | Oubrie, A., (2001) ACTA CRYSTALLOGR.,SECT.D, 57, 1732. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 5-8 (mg/ml) | |
| 2 | 1 | reservoir | PEG6000 | 17-20 (%(w/v)) | |
| 3 | 1 | reservoir | EDTA | 0-4 (mM) | |
| 4 | 1 | reservoir | MES | 100 (mM) | pH5.5-5.7 |
