1N60
Crystal Structure of the Cu,Mo-CO Dehydrogenase (CODH); Cyanide-inactivated Form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MPG/DESY, HAMBURG BEAMLINE BW6 |
| Synchrotron site | MPG/DESY, HAMBURG |
| Beamline | BW6 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 1999-07-14 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.05 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 118.566, 130.642, 158.492 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 17.800 - 1.190 |
| R-factor | 0.143 |
| Rwork | 0.142 |
| R-free | 0.17200 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.020 * |
| RMSD bond angle | 2.000 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.210 |
| High resolution limit [Å] | 1.190 | 1.190 |
| Rmerge | 0.077 * | |
| Total number of observations | 2299197 * | |
| Number of reflections | 744094 | |
| Completeness [%] | 95.6 | 94.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 7.3 | 281 | Dobbek, H., (1999) Proc.Natl.Acad.Sci.USA, 96, 8884. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | 0.8 (M) | ||
| 2 | 1 | 1 | 0.8 (M) | ||
| 3 | 1 | 1 | MPD | 2 (%) | |
| 4 | 1 | 1 | HEPES | 100 (mM) | pH7.3 |
