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 |