2Q2W
Structure of D-3-Hydroxybutyrate Dehydrogenase from Pseudomonas putida
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-03-10 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5419 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 117.684, 58.814, 119.462 |
| Unit cell angles | 90.00, 93.72, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.120 |
| R-factor | 0.184 |
| Rwork | 0.181 |
| R-free | 0.24700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2q2q |
| RMSD bond length | 0.028 |
| RMSD bond angle | 2.027 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 30.000 | 2.200 |
| High resolution limit [Å] | 2.120 | 4.560 | 2.120 |
| Rmerge | 0.067 | 0.037 | 0.369 |
| Number of reflections | 46410 | ||
| <I/σ(I)> | 17.2 | ||
| Completeness [%] | 99.1 | 99.8 | 94.4 |
| Redundancy | 9.9 | 10.1 | 7.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.1 | 295 | 20 % PEG1500, 0.2 mM calcium chloride, 10mM acetoacetate, pH 7.1, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
