4XO6
Crystal structure of human 3-alpha hydroxysteroid dehydrogenase type 3 in complex with NADP+, 5alpha-androstan-3,17-dione and (3beta, 5alpha)-3-hydroxyandrostan-17-one
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2012-08-02 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 0.97931 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.640, 86.950, 76.720 |
| Unit cell angles | 90.00, 107.10, 90.00 |
Refinement procedure
| Resolution | 17.640 - 1.200 |
| R-factor | 0.155 |
| Rwork | 0.154 |
| R-free | 0.17400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.028 |
| RMSD bond angle | 2.590 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASES |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 17.640 | 1.260 |
| High resolution limit [Å] | 1.200 | 1.200 |
| Rmerge | 0.334 | |
| Number of reflections | 212070 | |
| <I/σ(I)> | 9.8 | 3.3 |
| Completeness [%] | 99.4 | 98.1 |
| Redundancy | 3.6 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 25% PEG3350, 0.1M SODIUM CACODYLATE, 0.2M AMMONIUM SULFATE, PH 6.0 |
