6UX3
Crystal structure of acetoin dehydrogenase from Enterobacter cloacae
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-10-05 |
Detector | DECTRIS PILATUS3 X 6M |
Wavelength(s) | 0.97918 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 64.070, 99.836, 82.217 |
Unit cell angles | 90.00, 98.89, 90.00 |
Refinement procedure
Resolution | 49.918 - 2.198 |
R-factor | 0.1792 |
Rwork | 0.176 |
R-free | 0.23610 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3sj7 |
Data reduction software | HKL-3000 |
Data scaling software | SCALEPACK |
Phasing software | HKL-3000 |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.240 |
High resolution limit [Å] | 2.198 | 5.970 | 2.200 |
Rmerge | 0.064 | 0.056 | 1.078 |
Rmeas | 0.069 | 0.061 | 1.173 |
Rpim | 0.026 | 0.023 | 0.457 |
Number of reflections | 51666 | 2658 | 2583 |
<I/σ(I)> | 11.6 | ||
Completeness [%] | 99.5 | 99.4 | 99.5 |
Redundancy | 6.9 | 7 | 6.5 |
CC(1/2) | 0.995 | 0.796 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 297 | 25% PEG3350, 0.1M calcium acetate, 5mM NAD |