3OWO
Structures of iron-dependent alcohol dehydrogenase 2 from Zymomonas mobilis ZM4 with and without NAD cofactor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 6C1 |
| Synchrotron site | PAL/PLS |
| Beamline | 6C1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-04-07 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.2000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 60.917, 87.510, 124.708 |
| Unit cell angles | 90.00, 94.70, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.070 |
| R-factor | 0.202 |
| Rwork | 0.202 |
| R-free | 0.25320 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB ID 3BFJ |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.151 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASES |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.140 |
| High resolution limit [Å] | 2.070 | 2.070 |
| Rmerge | 0.080 | 0.255 |
| Number of reflections | 77861 | |
| <I/σ(I)> | 23.4 | 5 |
| Completeness [%] | 97.5 | 94.5 |
| Redundancy | 6.8 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 295 | 25% PEG 4000, 0.15M magnesium chloride, 0.1M Tris-HCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 295.0K |
