4I5D
Crystal structure of Ralstonia sp. alcohol dehydrogenase in its apo form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-04-28 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.91841 |
| Spacegroup name | P 1 |
| Unit cell lengths | 73.074, 73.518, 132.677 |
| Unit cell angles | 80.61, 86.80, 63.10 |
Refinement procedure
| Resolution | 30.000 - 2.400 |
| R-factor | 0.1966 |
| Rwork | 0.195 |
| R-free | 0.23070 |
| Starting model (for MR) | 4i5e |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.579 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.500 | |
| High resolution limit [Å] | 2.400 | 10.000 | 2.400 |
| Rmerge | 0.058 | 0.013 | 0.414 |
| Number of reflections | 91854 | 1219 | 10582 |
| <I/σ(I)> | 13.25 | 49.28 | 2.48 |
| Completeness [%] | 96.7 | 92.1 | 96.7 |
| Redundancy | 1.993 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 24% PEG3000, 100mM Tris/HCl, 200 mM Li2SO4, 10mM NAD+, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
