3OX4
Structures of iron-dependent alcohol dehydrogenase 2 from Zymomonas mobilis ZM4 complexed with NAD cofactor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 4A |
| Synchrotron site | PAL/PLS |
| Beamline | 4A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-06-22 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.2000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 60.514, 86.965, 124.475 |
| Unit cell angles | 90.00, 94.83, 90.00 |
Refinement procedure
| Resolution | 28.750 - 2.000 |
| R-factor | 0.24 |
| Rwork | 0.212 |
| R-free | 0.25200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3owo |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.349 |
| 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 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 84735 | |
| <I/σ(I)> | 15.3 | 2.37 |
| Completeness [%] | 97.7 | 97 |
| Redundancy | 2.7 | 2.4 |
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 |
