6ACQ
Crystal structure of (S)-3-hydroxybutyryl-CoA dehydrogenase from Clostridium acetobutylicum, apo form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
Synchrotron site | Photon Factory |
Beamline | AR-NE3A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-02-12 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 1.000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 133.434, 134.479, 153.804 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.900 - 2.500 |
R-factor | 0.19979 |
Rwork | 0.199 |
R-free | 0.22182 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6aa8 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.326 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0218) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.540 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.094 | 0.685 |
Number of reflections | 95544 | 4717 |
<I/σ(I)> | 19.9 | 1.9 |
Completeness [%] | 100.0 | 100 |
Redundancy | 6.7 | |
CC(1/2) | 0.995 | 0.855 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 1.25% PEG 400, 2.2 M ammonium sulfate, 0.1 M HEPES-NaOH, pH 7.5 |