3IS3
Crystal structure of 17beta-Hydroxysteroid dehydrogenase (Apo form) from fungus Cochliobolus lunatus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ELETTRA BEAMLINE 5.2R |
Synchrotron site | ELETTRA |
Beamline | 5.2R |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2005-07-20 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.2 |
Spacegroup name | I 41 2 2 |
Unit cell lengths | 67.914, 67.914, 268.347 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 23.860 - 1.480 |
R-factor | 0.17633 |
Rwork | 0.175 |
R-free | 0.18828 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1g0o |
RMSD bond length | 0.014 |
RMSD bond angle | 1.422 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0094) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 28.800 | 1.510 |
High resolution limit [Å] | 1.480 | 1.480 |
Rmerge | 0.068 | 0.494 |
Number of reflections | 52140 | |
<I/σ(I)> | 19.2 | 4.1 |
Completeness [%] | 99.6 | 98.4 |
Redundancy | 13.5 | 6.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 277 | 20% (W/V) PEG 6000, 20% (V/V) Glycerol, 0.1M Tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |