8AM6
Cyclohexanone dehydrogenase (CDH) from Alicycliphilus denitrificans K601 complexed with dehydrogenated substrate cyclohex-2-en-1-one - inactive mutant (Y195F)
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-04-08 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 0.9763 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 66.030, 121.700, 158.150 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 60.932 - 1.330 |
R-factor | 0.175 |
Rwork | 0.174 |
R-free | 0.19470 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 8am3 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.789 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 60.932 | 1.350 |
High resolution limit [Å] | 1.330 | 1.330 |
Rmeas | 0.150 | |
Number of reflections | 290848 | 14363 |
<I/σ(I)> | 8.3 | 1.1 |
Completeness [%] | 99.9 | |
Redundancy | 7.5 | |
CC(1/2) | 1.000 | 0.600 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 289 | 240 mM ammonium citrate tribasic 20% PEG 3350 |