1BDB
CIS-BIPHENYL-2,3-DIHYDRODIOL-2,3-DEHYDROGENASE FROM PSEUDOMONAS SP. LB400
Experimental procedure
| Source type | SYNCHROTRON |
| Source details | MPG/DESY, HAMBURG BEAMLINE BW6 |
| Synchrotron site | MPG/DESY, HAMBURG |
| Beamline | BW6 |
| Temperature [K] | 277 |
| Detector technology | IMAGE PLATE |
| Collection date | 1996-10-02 |
| Detector | MARRESEARCH |
| Spacegroup name | P 64 2 2 |
| Unit cell lengths | 79.200, 79.200, 152.880 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 25.000 - 2.000 |
| Rwork | 0.179 |
| R-free | 0.23000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2hsd |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.026 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.067 * | 0.188 * |
| Total number of observations | 19980 * | |
| Number of reflections | 18861 | |
| <I/σ(I)> | 22.7 | 14.4 |
| Completeness [%] | 94.4 | 94 |
| Redundancy | 4.5 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, sitting drop * | 7.5 | 12 * | PROTEIN WAS CRYSTALLIZED FROM 0.1 M CITRATE/PHOSPHATE BUFFER, PH 7.5, 1.2 M AMMONIUM SULFATE CONTAINING 50 MM NAD |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | citrate | 100 (mM) | |
| 2 | 1 | reservoir | ammonium sulfate | 1.2 (M) | |
| 3 | 1 | drop | citrate | 33 (mM) | |
| 4 | 1 | drop | ammonium sulfate | 0.4 (M) | |
| 5 | 1 | drop | protain | 4 (mg/ml) | |
| 6 | 1 | drop | NAD+ | 17 (mM) |
