1LJ8
Crystal structure of mannitol dehydrogenase in complex with NAD
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-01-23 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9800 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 102.096, 103.188, 106.196 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.700 |
| R-factor | 0.171 |
| Rwork | 0.171 |
| R-free | 0.19700 |
| Structure solution method | MAD |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.790 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.083 | 0.228 |
| Total number of observations | 227038 * | |
| Number of reflections | 58258 | |
| <I/σ(I)> | 15.1 | 2.3 |
| Completeness [%] | 94.4 | 70.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 * | 293 | PEG 4000, ammonium acetate, citrate, pH 5.0, VAPOR DIFFUSION, HANGING DROP at 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 14 (mg/ml) | |
| 2 | 1 | drop | Tris | 10 (mM) | |
| 3 | 1 | drop | 25 (mM) | pH7.5 | |
| 4 | 1 | drop | NADH | 5 (mM) | |
| 5 | 1 | reservoir | PEG4000 | 30 (%(w/v)) | |
| 6 | 1 | reservoir | ammonium acetate | 200 (mM) | |
| 7 | 1 | reservoir | sodium citrate | 100 (mM) | pH5.6 |
