1QYW
Crystal structure of human estrogenic 17beta-hydroxysteroid dehydrogenase complex with androstanedione 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 | 2001-04-12 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 122.646, 43.926, 60.793 |
| Unit cell angles | 90.00, 99.76, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.630 |
| Rwork | 0.209 |
| R-free | 0.24900 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1jtv |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.500 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.690 |
| High resolution limit [Å] | 1.630 | 1.630 |
| Rmerge | 0.044 | 0.454 |
| Number of reflections | 38394 | |
| <I/σ(I)> | 2 | |
| Completeness [%] | 95.3 | 98 |
| Redundancy | 2.53 | 2.47 |
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 dihydrotestosterone and NADP, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 300K |
