9UGS
Butanol Dehydrogenase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17B1 |
| Synchrotron site | SSRF |
| Beamline | BL17B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2021-08-03 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 0.9793 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 65.056, 78.916, 215.517 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.830 - 2.500 |
| R-factor | 0.1903 |
| Rwork | 0.185 |
| R-free | 0.23730 |
| Structure solution method | MAD |
| RMSD bond angle | 0.930 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.540 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Number of reflections | 19608 | 962 |
| <I/σ(I)> | 11 | |
| Completeness [%] | 99.9 | |
| Redundancy | 6.6 | |
| CC(1/2) | 0.963 | 0.955 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 279 | 1.8M ammonium phosphate monobasic, 0.1M HEPES sodium salt pH 7.5 |
