1JTV
Crystal structure of 17beta-Hydroxysteroid Dehydrogenase Type 1 complexed with Testosterone
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 | 2000-06-28 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 122.369, 43.944, 60.614 |
| Unit cell angles | 90.00, 99.24, 90.00 |
Refinement procedure
| Resolution | 40.000 * - 1.540 |
| Rwork | 0.196 |
| R-free | 0.20800 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1iol |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.400 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.600 |
| High resolution limit [Å] | 1.540 | 1.540 |
| Rmerge | 0.049 | 0.420 |
| Total number of observations | 148865 * | |
| Number of reflections | 46122 | 4586 * |
| <I/σ(I)> | 19.1 | 2 |
| Completeness [%] | 98.8 | 99.4 |
| Redundancy | 3.2 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.5 | 27 * | PEG 4000,magnesium chloride,beta-octylglucoside,glycerol,Hepes,soaking with testosterone, pH 7.5, temperature 300K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 17 (mg/ml) | |
| 10 | 1 | reservoir | glycerol | 20 (%) | |
| 2 | 1 | drop | Tris | 40 (mM) | pH7.5 |
| 3 | 1 | drop | EDTA | 1 (mM) | |
| 4 | 1 | drop | dithiothreitol | 0.2 (mM) | |
| 5 | 1 | drop | glycerol | 20 (%) | |
| 6 | 1 | drop | beta-octylglucoside | 0.06 (%(w/v)) | |
| 7 | 1 | reservoir | PEG4000 | 30 (%) | |
| 8 | 1 | reservoir | 0.16 (M) | ||
| 9 | 1 | reservoir | HEPES | 100 (mM) | pH7.5 |
