4RQU
Alcohol Dehydrogenase crystal structure in complex with NAD
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 77 |
| Detector technology | CCD |
| Collection date | 2013-01-01 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 101.150, 101.150, 165.640 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.371 - 2.500 |
| R-factor | 0.179 |
| Rwork | 0.170 |
| R-free | 0.19830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.285 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALEPACK |
| Phasing software | PHASES |
| Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.640 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.110 | 0.298 |
| Number of reflections | 33370 | |
| <I/σ(I)> | 9.9 | 2.3 |
| Completeness [%] | 96.8 | 82.9 |
| Redundancy | 3.7 | 1.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 4.8 | 295 | 15% (w/v) PEG-3350, 0.1M acetate pH 4.8, EVAPORATION, temperature 295K |
