8AM8
Cyclohexanone dehydrogenase (CDH) from Alicycliphilus denitrificans K601 complexed with dehydrogenated substrate - W113A mutant
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-02-17 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 90.051, 90.051, 277.358 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 85.650 - 1.850 |
| Rwork | 0.173 |
| R-free | 0.21540 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 8am3 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.376 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 85.650 | 1.880 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Number of reflections | 98195 | 4779 |
| <I/σ(I)> | 7 | 1.3 |
| Completeness [%] | 99.9 | 99.2 |
| Redundancy | 2.6 | |
| CC(1/2) | 0.973 | 0.999 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 289 | 240 mM ammonium citrate tribasic 20% PEG 3350 |
