1HXH
COMAMONAS TESTOSTERONI 3BETA/17BETA HYDROXYSTEROID DEHYDROGENASE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE BW7B |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | BW7B |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-03-15 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.8424 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 80.024, 110.595, 115.143 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.220 |
| Rwork | 0.146 |
| R-free | 0.18000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2hsd |
| RMSD bond length | 0.014 |
| RMSD bond angle | 2.320 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.250 |
| High resolution limit [Å] | 1.180 | 1.220 |
| Rmerge | 0.069 | 0.383 |
| Total number of observations | 1409412 * | |
| Number of reflections | 314581 * | |
| Completeness [%] | 94.3 | 83.9 |
| Redundancy | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 7.5 | 277 | 10% Ethanol, 250 mM NaCl, 50 mM Tris/HCl, 10 mM DTT, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 7.9 (mg/ml) | |
| 2 | 1 | drop | Tris-HCl | 50 (mM) | pH7.5 |
| 3 | 1 | drop | dithiothreitol | 10 (mM) | |
| 4 | 1 | reservoir | ethanol | 10 (%) | |
| 5 | 1 | reservoir | 250 (mM) |
