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 |