1FJH
THE CRYSTAL STRUCTURE OF 3-ALPHA-HYDROXYSTEROID DEHYDROGENASE FROM COMAMONAS TESTOSTERONI, A MEMBER OF THE SHORT CHAIN DEHYDROGENASE/REDUCTASE FAMILY
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1999-10-20 |
| Detector | RIGAKU RAXIS |
| Spacegroup name | P 1 |
| Unit cell lengths | 43.256, 46.208, 65.320 |
| Unit cell angles | 106.54, 106.56, 98.75 |
Refinement procedure
| Resolution | 30.020 - 1.680 |
| R-factor | 0.2 |
| Rwork | 0.200 |
| R-free | 0.22900 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.200 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.020 | 1.660 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.043 | 0.271 |
| Total number of observations | 374072 * | |
| Number of reflections | 50140 | |
| <I/σ(I)> | 69.7 | |
| Completeness [%] | 97.7 | 74 |
| Redundancy | 7.46 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 * | 277 | used macroseeding * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG4000 | 25-30 (%) | |
| 2 | 1 | reservoir | cacodylate | 0.1 (M) | |
| 3 | 1 | reservoir | ammonium acetate | 0.2 (M) | |
| 4 | 1 | drop | protein | 5 (g/l) | |
| 5 | 1 | drop | Tris-HCl | 10 (mM) | |
| 6 | 1 | drop | dithiothreitol | 0.1 (mM) |
