6QHE
Alcohol Dehydrogenase from Arthrobacter sp. TS-15 in complex with NAD+
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 120 |
| Detector technology | PIXEL |
| Collection date | 2017-12-17 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.97950 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 80.731, 119.041, 348.578 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.280 - 1.830 |
| R-factor | 0.16059 |
| Rwork | 0.159 |
| R-free | 0.18166 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1vl8 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.574 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 52.920 | 1.860 |
| High resolution limit [Å] | 1.830 | 1.830 |
| Rmerge | 0.060 | 0.750 |
| Rpim | 0.040 | 0.420 |
| Number of reflections | 147773 | 7240 |
| <I/σ(I)> | 16.8 | 2.6 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 8.1 | 8.2 |
| CC(1/2) | 1.000 | 0.840 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | 100 mM bis-Tris pH 5.5; 25% (w/v) PEG 3350; 200 mM MgCL2; 5 mM NAD+ |
