3ITD
Crystal structure of an inactive 17beta-Hydroxysteroid dehydrogenase (Y167F mutated form) from fungus Cochliobolus lunatus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-06-19 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.8726 |
| Spacegroup name | I 41 2 2 |
| Unit cell lengths | 67.790, 67.790, 269.930 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.900 - 1.890 |
| R-factor | 0.1686 |
| Rwork | 0.168 |
| R-free | 0.18906 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3is3 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.289 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0094) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.100 | 2.000 |
| High resolution limit [Å] | 1.890 | 1.890 |
| Rmerge | 0.082 | 0.345 |
| Number of reflections | 25756 | |
| <I/σ(I)> | 15.8 | 5.2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.2 | 7.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 277 | 20% (W/V) PEG 6000, 20% (V/V) Glycerol, 0.1 M Tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
