2IPF
Crystal structure of 17alpha-hydroxysteroid dehydrogenase in complex with NADP+ and epi-testosterone
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-05-06 |
| Detector | RIGAKU RAXIS IIC |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.230, 97.400, 79.460 |
| Unit cell angles | 90.00, 99.26, 90.00 |
Refinement procedure
| Resolution | 19.640 - 1.850 |
| Rwork | 0.171 |
| R-free | 0.20000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2hej |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.200 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.640 | 1.900 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.085 | 0.366 |
| Number of reflections | 59634 | |
| <I/σ(I)> | 16.22 | 3.4 |
| Completeness [%] | 94.5 | 89.4 |
| Redundancy | 5 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | hanging drop | 8 | 277 | PEG-6000 18%, 0.1M TRIS, 5% MPD, hanging drop, temperature 277K |
| 1 | hanging drop | 8 | 277 | PEG-6000 18%, 0.1M TRIS, 5% MPD, hanging drop, temperature 277K |
