3DOP
Crystal structure of 5beta-reductase (AKR1D1) in complex with NADP+ and 5beta-dihydrotestosterone, Resolution 2.00A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 186 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-06-05 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.872, 109.495, 129.199 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.840 - 2.000 |
| R-factor | 0.22 |
| Rwork | 0.220 |
| R-free | 0.25700 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3cmf |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.200 |
| Data reduction software | CrystalClear |
| Data scaling software | CrystalClear |
| Phasing software | CNS |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.840 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.118 | 0.410 |
| Number of reflections | 47344 | |
| <I/σ(I)> | 7.6 | 3 |
| Completeness [%] | 97.2 | 97.4 |
| Redundancy | 4.7 | 1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | ISOPROPANOL, PEG 4000, TRIS-HCL, PH 7.0, 10.0mM 5bDHT, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
