5YVS
Crystal Structure of the archaeal halo-thermophilic Red Sea brine pool alcohol dehydrogenase ADH/D1 bound to NADP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-09-22 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97857 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 57.920, 104.840, 129.360 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.583 - 2.345 |
| R-factor | 0.218 |
| Rwork | 0.216 |
| R-free | 0.25030 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.542 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.583 | 2.410 |
| High resolution limit [Å] | 2.345 | 2.350 |
| Rmerge | 1.910 | |
| Rmeas | 2.220 | |
| Rpim | 1.190 | |
| Number of reflections | 16847 | 1176 |
| <I/σ(I)> | 8.8 | 0.8 |
| Completeness [%] | 99.5 | 94.1 |
| Redundancy | 7.2 | 7.1 |
| CC(1/2) | 0.521 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 150mM Mg Acetate, 27% methyl-pentane-diol, 100mM Na cacodylate, pH 6.5 |
