4N5L
Crystal structure of (R)-3-hydroxybutyryl-CoA dehydrogenase from Ralstonia eutropha
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 | 2012-12-16 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.979 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 87.912, 94.341, 137.260 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.180 - 1.650 |
R-factor | 0.2477 |
Rwork | 0.245 |
R-free | 0.29160 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1q7b |
RMSD bond length | 0.019 |
RMSD bond angle | 1.872 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 68.640 | 50.000 | 1.680 |
High resolution limit [Å] | 1.650 | 4.480 | 1.650 |
Rmerge | 0.059 | ||
Number of reflections | 59854 | ||
<I/σ(I)> | 30 | ||
Completeness [%] | 87.2 | 92.2 | 81.9 |
Redundancy | 6.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 295 | ethanol,citrate, lithium sulfate, pH 6.5, vapor diffusion, hanging drop, temperature 295K |