7RM6
Horse liver alcohol dehydrogenase 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 | 2020-01-26 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 |
| Unit cell lengths | 44.142, 50.979, 92.864 |
| Unit cell angles | 92.41, 103.03, 108.94 |
Refinement procedure
| Resolution | 37.940 - 1.430 |
| R-factor | 0.1905 |
| Rwork | 0.190 |
| R-free | 0.20820 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4dwv |
| RMSD bond length | 0.021 |
| RMSD bond angle | 2.667 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.18.2) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 37.940 | 37.940 | 1.450 |
| High resolution limit [Å] | 1.430 | 7.830 | 1.430 |
| Rmerge | 0.060 | 0.025 | 1.671 |
| Rmeas | 0.064 | 0.027 | 1.795 |
| Rpim | 0.023 | 0.010 | 0.651 |
| Total number of observations | 932809 | 6472 | 43206 |
| Number of reflections | 119395 | 820 | 5789 |
| <I/σ(I)> | 19.7 | 93.3 | 1.4 |
| Completeness [%] | 87.2 | 98.2 | 85.5 |
| Redundancy | 7.8 | 7.9 | 7.5 |
| CC(1/2) | 0.999 | 1.000 | 0.754 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277.15 | 50 mM Tris-HCl buffer at pH 8.2, 18% (v/v) PEG400 |
