3QWF
Crystal structure of the 17beta-hydroxysteroid dehydrogenase from Cochliobolus lunatus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-02-15 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.939 |
| Spacegroup name | P 1 |
| Unit cell lengths | 65.520, 67.830, 138.890 |
| Unit cell angles | 84.20, 85.31, 66.57 |
Refinement procedure
| Resolution | 37.450 - 1.880 |
| R-factor | 0.16663 |
| Rwork | 0.165 |
| R-free | 0.19438 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3is3 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.133 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0094) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 53.400 | 1.980 |
| High resolution limit [Å] | 1.880 | 1.880 |
| Rmerge | 0.056 | 0.526 |
| Number of reflections | 170185 | |
| <I/σ(I)> | 10.1 | 1.6 |
| Completeness [%] | 95.9 | 94.9 |
| Redundancy | 2.3 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 20% (W/V) PEG 6000, 25% (V/V) GLYCEROL, 0.1M TRIS, 5MM NADPH SODIUM SALT, PH 8.0, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293K |
