8AM3
Cyclohexanone dehydrogenase (CDH) from Alicycliphilus denitrificans K601 - wildtype
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 | 2017-09-18 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 1.6 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 90.699, 90.699, 278.239 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 86.233 - 1.860 |
| Rwork | 0.171 |
| R-free | 0.20710 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.427 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 90.700 | 1.890 |
| High resolution limit [Å] | 1.860 | 1.860 |
| Rmeas | 0.131 | |
| Number of reflections | 97297 | 4025 |
| <I/σ(I)> | 15.1 | 0.9 |
| Completeness [%] | 98.8 | 83.1 |
| Redundancy | 5.08 | |
| CC(1/2) | 1.000 | 0.400 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 289 | 240 mM ammonium citrate tribasic 20% PEG 3350 |
