12EV
Horse liver alcohol dehydrogenase H51E in complex with NADH and N-cylcohexyl formamide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2026-03-18 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 |
| Unit cell lengths | 44.222, 50.507, 92.598 |
| Unit cell angles | 92.38, 102.98, 109.29 |
Refinement procedure
| Resolution | 47.290 - 1.550 |
| R-factor | 0.1587 |
| Rwork | 0.157 |
| R-free | 0.20050 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.852 |
| Data reduction software | autoPROC |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.21.2_5419: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 89.510 | 1.630 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.061 | 0.318 |
| Rmeas | 0.071 | 0.370 |
| Rpim | 0.036 | 0.188 |
| Total number of observations | 241315 | 3468 |
| Number of reflections | 61621 | 919 |
| <I/σ(I)> | 12 | 2.4 |
| Completeness [%] | 57.9 | |
| Redundancy | 3.9 | 3.8 |
| CC(1/2) | 0.997 | 0.946 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 277 | PEG 400, 50mM Tris-HCl screened between 8-28% PEG |
