1FDS
HUMAN 17-BETA-HYDROXYSTEROID-DEHYDROGENASE TYPE 1 COMPLEXED WITH 17-BETA-ESTRADIOL
Experimental procedure
| Source type | SYNCHROTRON |
| Source details | LURE BEAMLINE DW32 |
| Synchrotron site | LURE |
| Beamline | DW32 |
| Temperature [K] | 290 |
| Detector technology | IMAGE PLATE |
| Collection date | 1995-03 |
| Detector | MAR scanner 180 mm plate |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 122.330, 44.840, 60.960 |
| Unit cell angles | 90.00, 98.84, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.700 |
| R-factor | 0.178 |
| Rwork | 0.178 |
| R-free | 0.20300 |
| Structure solution method | MIR + MR |
| Starting model (for MR) | CALPHAS OF 3ALPHA 20BETA HYDROXYSTEROID DEHYDROGENASE |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.330 * |
| Data reduction software | MOSFLM (V. 5.2) |
| Data scaling software | CCP4 ((AGROVATA) |
| Phasing software | X-PLOR (3.1) |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 17.000 | 1.750 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.050 * | |
| Total number of observations | 137576 * | |
| Number of reflections | 35032 | |
| <I/σ(I)> | 8.5 | 1.8 |
| Completeness [%] | 97.6 | 93.5 |
| Redundancy | 3.9 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | Zhu, D.-W., (1993) J. Mol. Biol., 234, 242. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | enzyme | 10 (mg/ml) | |
| 2 | 1 | drop | beta-octylglucoside | 2 (mM) | |
| 3 | 1 | drop | glycerol | 20 (%) | |
| 4 | 1 | reservoir | HEPES | 100 (mM) | |
| 5 | 1 | reservoir | 100 (mM) | ||
| 6 | 1 | reservoir | PEG4000 | 24-26 (%) |
