4KUG
Crystal structure of 3-hydroxybutylryl-CoA dehydrogenase with NAD from Clostridium butyricum
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 7A (6B, 6C1) |
Synchrotron site | PAL/PLS |
Beamline | 7A (6B, 6C1) |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-11-03 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.97985 |
Spacegroup name | H 3 |
Unit cell lengths | 148.450, 148.450, 201.630 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 43.810 - 2.300 |
R-factor | 0.2214 |
Rwork | 0.218 |
R-free | 0.28150 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1f0y |
RMSD bond length | 0.015 |
RMSD bond angle | 1.830 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.380 |
High resolution limit [Å] | 2.300 | 4.950 | 2.300 |
Rmerge | 0.066 | 0.040 | 0.296 |
Number of reflections | 65804 | ||
<I/σ(I)> | 17.4 | ||
Completeness [%] | 89.5 | 95.8 | 89.6 |
Redundancy | 3.7 | 4.9 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 10.5 | 295 | (NH4)2SO4, CAPs, Li2SO4, pH 10.5, vapor diffusion, hanging drop, temperature 295K |