4I5E
Crystal structure of Ralstonia sp. alcohol dehydrogenase in complex with NADP+
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 | 73.342, 74.549, 132.689 |
| Unit cell angles | 80.98, 85.99, 64.60 |
Refinement procedure
| Resolution | 29.600 - 2.800 |
| R-factor | 0.263 |
| Rwork | 0.261 |
| R-free | 0.30520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2mn0 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.402 |
| 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 | 2.900 | |
| High resolution limit [Å] | 2.800 | 10.000 | 2.800 |
| Rmerge | 0.100 | 0.033 | 0.503 |
| Number of reflections | 57905 | 1259 | 5932 |
| <I/σ(I)> | 7.5 | 18.67 | 2.17 |
| Completeness [%] | 93.7 | 92.7 | 95.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9 | 293 | 26% PEG3000, 100mM Tris/HCl, 200 mM Li2SO4, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
