6TQ8
Alcohol dehydrogenase from Candida magnoliae DSMZ 70638 (ADHA): thermostable 10fold mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-04-02 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.999998 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.671, 86.518, 102.751 |
| Unit cell angles | 90.00, 100.63, 90.00 |
Refinement procedure
| Resolution | 19.900 - 2.500 |
| R-factor | 0.1915 |
| Rwork | 0.189 |
| R-free | 0.28810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6tq3 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.195 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.1) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 49.160 | 49.160 | 2.600 |
| High resolution limit [Å] | 2.500 | 9.010 | 2.500 |
| Rmerge | 0.206 | 0.123 | 1.197 |
| Rmeas | 0.232 | 0.137 | 1.331 |
| Rpim | 0.104 | 0.058 | 0.562 |
| Total number of observations | 133568 | 3119 | 16358 |
| Number of reflections | 29671 | 633 | 3412 |
| <I/σ(I)> | 3.8 | 9.1 | 1.2 |
| Completeness [%] | 96.0 | 90.6 | 98.2 |
| Redundancy | 4.5 | 4.9 | 4.8 |
| CC(1/2) | 0.979 | 0.987 | 0.637 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 20% w/v PEG 3350, 0.2 M sodium citrate |
