5U0L
X-ray crystal structure of fatty aldehyde dehydrogenase enzymes from Marinobacter aquaeolei VT8 complexed with a substrate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-07-10 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.979 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 98.710, 98.710, 254.725 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.899 - 2.285 |
R-factor | 0.2166 |
Rwork | 0.214 |
R-free | 0.26960 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ju8 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.045 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (dev_2706) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 92.041 | 2.350 |
High resolution limit [Å] | 2.285 | 2.285 |
Rmerge | 0.171 | 5.190 |
Number of reflections | 57651 | |
<I/σ(I)> | 14.8 | 0.8 |
Completeness [%] | 99.4 | 97.2 |
Redundancy | 14.6 | 14.1 |
CC(1/2) | 0.999 | 0.559 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 50%MPD |