4I5G
Crystal structure of Ralstonia sp. alcohol dehydrogenase mutant N15G, G37D, R38V, R39S, A86N, S88A
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 | 2011-07-28 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.91841 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 79.467, 122.136, 133.543 |
| Unit cell angles | 90.00, 94.32, 90.00 |
Refinement procedure
| Resolution | 29.900 - 2.300 |
| R-factor | 0.223 |
| Rwork | 0.220 |
| R-free | 0.27180 |
| Starting model (for MR) | 4i5e |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.998 |
| 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 | 2.400 | |
| High resolution limit [Å] | 2.300 | 10.000 | 2.300 |
| Rmerge | 0.119 | 0.043 | 0.508 |
| Number of reflections | 110660 | 1367 | 13146 |
| <I/σ(I)> | 7.63 | 16.91 | 2.69 |
| Completeness [%] | 98.1 | 95.3 | 97.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 12% PEG2000, 50mM Hepes/NaOH, 100 mM LiCl, 5mM NAD+, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
