4I5F
Crystal structure of Ralstonia sp. alcohol dehydrogenase mutant N15G, G37D, R38V, R39S
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-12-07 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.91841 |
| Spacegroup name | P 1 |
| Unit cell lengths | 72.796, 72.974, 132.893 |
| Unit cell angles | 80.74, 86.53, 64.18 |
Refinement procedure
| Resolution | 29.580 - 2.100 |
| R-factor | 0.2066 |
| Rwork | 0.205 |
| R-free | 0.24410 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4i5e |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.980 |
| 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 | 5.000 | 2.200 |
| High resolution limit [Å] | 2.100 | 4.000 | 2.100 |
| Rmerge | 0.084 | 0.035 | 0.507 |
| Number of reflections | 136876 | ||
| <I/σ(I)> | 11.56 | 29.66 | 2.61 |
| Completeness [%] | 96.5 | 96.7 | 95 |
| Redundancy | 3.236 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 293 | 7% PEG2000, 50mM Hepes/NaOH, 100 mM LiCl, 5mM NAD+ , pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
