1E3V
Crystal structure of ketosteroid isomerase from Psedomonas putida complexed with deoxycholate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | MACSCIENCE M18X |
| Temperature [K] | 295 |
| Detector technology | IMAGE PLATE |
| Detector | MACSCIENCE |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 36.580, 75.210, 96.130 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 2.000 |
| R-factor | 0.198 |
| Rwork | 0.198 |
| R-free | 0.26400 |
| Structure solution method | OTHER |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.709 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | X-PLOR (3.8) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | |
| High resolution limit [Å] | 2.000 | |
| Rmerge | 0.066 | |
| Number of reflections | 17811 | |
| Completeness [%] | 92.7 | 97.69 * |
| Redundancy | 5.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 4.6 * | 23 * | pH 6.50 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | enzyme solution | 20 (mg/ml) | |
| 2 | 1 | drop | DC | 1 (mM) | |
| 3 | 1 | reservoir | sodium acetate | 1.0-1.4 (M) | |
| 4 | 1 | reservoir | ammonium acetate | 0.1 (M) |
