2JHF
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 BW7B |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | BW7B |
| Temperature [K] | 120 |
| Detector technology | IMAGE PLATE |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 |
| Unit cell lengths | 50.870, 44.460, 94.180 |
| Unit cell angles | 104.40, 101.40, 71.10 |
Refinement procedure
| Resolution | 20.000 - 1.000 |
| R-factor | 0.125 |
| Rwork | 0.125 |
| R-free | 0.15200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1heu |
| RMSD bond length | 0.026 |
| RMSD bond angle | 2.207 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 1.030 |
| High resolution limit [Å] | 1.000 | 1.000 |
| Rmerge | 0.040 | 0.440 |
| Number of reflections | 323884 | |
| <I/σ(I)> | 16.7 | 1.4 |
| Completeness [%] | 80.0 | 67.5 |
| Redundancy | 1.7 | 1.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | DIALYSIS 30 MM TRIS/HCL PH 8.2 25 % MPD |
