4L1W
Crystal Structuer of Human 3-alpha Hydroxysteroid Dehydrogenase Type 3 in Complex with NADP+ and Progesterone
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 | 2012-10-31 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 0.979310 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.800, 86.820, 76.490 |
| Unit cell angles | 90.00, 105.96, 90.00 |
Refinement procedure
| Resolution | 21.350 - 2.200 |
| R-factor | 0.14816 |
| Rwork | 0.146 |
| R-free | 0.19351 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1j96 |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.902 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASES |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 21.500 | 2.320 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.037 | 0.056 |
| Number of reflections | 32561 | |
| Completeness [%] | 96.4 | 95.9 |
| Redundancy | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 295 | 25% PEG3350, 0.1M Sodium Cacodylate, 0.2M Ammonium Sulfate, 0.8mM Progesterone, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
