3FJN
The crystal structure of 17-alpha hydroxysteroid dehydrogenase Y224D mutant.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-09-04 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.54179 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 95.317, 97.837, 69.610 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.300 |
| R-factor | 0.1791 |
| Rwork | 0.174 |
| R-free | 0.27682 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2p5n |
| RMSD bond length | 0.024 |
| RMSD bond angle | 2.189 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.055 | 0.134 |
| Number of reflections | 28098 | |
| <I/σ(I)> | 13.3 | 4.3 |
| Completeness [%] | 98.9 | 94.7 |
| Redundancy | 4.34 | 3.24 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 295 | 0.1M Sodium Cacodylate, 0.2M Magnesium Acetate, 20% Polyethylene glycol8000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
