3DHE
ESTROGENIC 17-BETA HYDROXYSTEROID DEHYDROGENASE COMPLEXED DEHYDROEPIANDROSTERONE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU R-AXIS II |
| Temperature [K] | 287 |
| Detector technology | IMAGE PLATE |
| Collection date | 1996-01 |
| Detector | RIGAKU RAXIS IIC |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 123.660, 45.190, 61.300 |
| Unit cell angles | 90.00, 99.10, 90.00 |
Refinement procedure
| Resolution | 8.000 - 2.300 |
| R-factor | 0.184 |
| Rwork | 0.184 |
| R-free | 0.24900 |
| Structure solution method | DIFFERENCE FOURIER |
| Starting model (for MR) | 1iol |
| RMSD bond length | 0.008 * |
| RMSD bond angle | 1.380 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 8.000 | 2.400 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.090 | |
| Total number of observations | 25462 * | |
| Number of reflections | 14316 | |
| Completeness [%] | 95.0 | 86 |
| Redundancy | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.5 * | pH 7.20 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG4000 | 30 (%) | |
| 2 | 1 | reservoir | beta-octylglucoside | 0.06 (%(w/v)) | |
| 3 | 1 | reservoir | 0.12 (M) | ||
| 4 | 1 | reservoir | HEPES | 0.1 (M) | |
| 5 | 1 | drop | protain | 1 (mM) | saturating |
