3FJN
The crystal structure of 17-alpha hydroxysteroid dehydrogenase Y224D mutant.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2008-09-04 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.54179 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 95.317, 97.837, 69.610 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.300 |
R-factor | 0.1791 |
Rwork | 0.174 |
R-free | 0.27682 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2p5n |
RMSD bond length | 0.024 |
RMSD bond angle | 2.189 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.055 | 0.134 |
Number of reflections | 28098 | |
<I/σ(I)> | 13.3 | 4.3 |
Completeness [%] | 98.9 | 94.7 |
Redundancy | 4.34 | 3.24 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 295 | 0.1M Sodium Cacodylate, 0.2M Magnesium Acetate, 20% Polyethylene glycol8000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |