1M2W
Pseudomonas fluorescens mannitol 2-dehydrogenase ternary complex with NAD and D-mannitol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-1 |
| Synchrotron site | SSRL |
| Beamline | BL9-1 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2002-04-24 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.9198 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 106.954, 104.531, 101.505 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.800 |
| R-factor | 0.1761 |
| Rwork | 0.176 |
| R-free | 0.20200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1lj8 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.680 |
| 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] | 30.000 | 1.840 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.064 | 0.371 |
| Total number of observations | 367595 * | |
| Number of reflections | 105300 * | |
| <I/σ(I)> | 18.4 | 2.8 |
| Completeness [%] | 99.5 | 96.1 |
| Redundancy | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 * | 293 | 34% PEG 4000, 250 mM ammonium acetate, 100 mM sodium citrate, 10 mM DTT, 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 |
