5B4T
Crystal structure of D-3-hydroxybutyrate dehydrogenase from Alcaligenes faecalis complexed with NAD+ and a substrate D-3-hydroxybutyrate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-5A |
Synchrotron site | Photon Factory |
Beamline | BL-5A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-10-29 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0 |
Spacegroup name | P 42 21 2 |
Unit cell lengths | 62.780, 62.780, 119.490 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.670 - 1.190 |
R-factor | 0.158 |
Rwork | 0.157 |
R-free | 0.17270 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.402 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 33.630 |
High resolution limit [Å] | 1.190 |
Number of reflections | 57643 |
<I/σ(I)> | 11.2 |
Completeness [%] | 74.0 |
Redundancy | 12 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 30% PEG 4000, 100mM Tris hydrochloride pH 8.0, 200mM D-3-hydroxybutyrate, 5mM NAD+, VAPOR DIFFUSION, HANGING DROP, temperature 293K |