2JHG
Structural evidence for a ligand coordination switch in liver alcohol dehydrogenase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X11 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 |
| Unit cell lengths | 50.186, 43.798, 92.516 |
| Unit cell angles | 77.12, 87.44, 108.89 |
Refinement procedure
| Resolution | 19.830 - 1.200 |
| R-factor | 0.115 |
| Rwork | 0.114 |
| R-free | 0.14200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1het |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.929 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 1.230 |
| High resolution limit [Å] | 1.200 | 1.200 |
| Rmerge | 0.050 | 0.220 |
| Number of reflections | 212570 | |
| <I/σ(I)> | 17.8 | 2.8 |
| Completeness [%] | 94.1 | 89.1 |
| Redundancy | 2.6 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | DIALYSIS 30 MM TRIS/HCL PH 8.2 25 % MPD |
