1E3R
Crystal structure of ketosteroid isomerase mutant D40N (D38N TI numbering) from Pseudomonas putida complexed with androsten-3beta-ol-17-one
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-18B |
| Synchrotron site | Photon Factory |
| Beamline | BL-18B |
| Temperature [K] | 292 |
| Detector technology | IMAGE PLATE |
| Detector | FUJI |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 85.900, 72.370, 50.530 |
| Unit cell angles | 90.00, 90.65, 90.00 |
Refinement procedure
| Resolution | 8.000 - 2.500 |
| R-factor | 0.193 |
| Rwork | 0.193 |
| R-free | 0.27900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1e3r |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.323 |
| 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] | 2.500 | |
| Rmerge | 0.065 | |
| Number of reflections | 11746 | |
| Completeness [%] | 82.2 | 66.4 * |
| Redundancy | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 4.6 * | 22 * | Kim, S.W., (1997) Biochemistry, 36, 14030. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | sodium acetate | 1.1 (M) | |
| 2 | 1 | reservoir | ammonium acetate | 0.1 (M) | |
| 3 | 1 | drop | enzyme | 20 (mg/ml) |
