1QYX
Crystal structure of human estrogenic 17beta-hydroxysteroid dehydrogenase complex with androstenedione and NADP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X8C |
| Synchrotron site | NSLS |
| Beamline | X8C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-10-10 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 122.700, 44.030, 60.790 |
| Unit cell angles | 90.00, 99.52, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.890 |
| Rwork | 0.186 |
| R-free | 0.22700 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1jtv |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.700 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.960 |
| High resolution limit [Å] | 1.890 | 1.890 |
| Rmerge | 0.046 | 0.289 |
| Number of reflections | 24387 | |
| <I/σ(I)> | 2 | |
| Completeness [%] | 95.4 | 93.6 |
| Redundancy | 2.7 | 2.58 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 300 | PEG 4000, magnisum chloride, beta-octylglucoside, HEPES, glycerol, soaking with testosterone and NADP, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 300K |
