2HE8
Crystal structure of 17alpha-hydroxysteroid dehydrogenase in its apo-form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2005-01-11 |
Detector | RIGAKU RAXIS IIC |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 98.060, 94.950, 69.360 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.210 - 1.900 |
R-factor | 0.198 |
Rwork | 0.198 |
R-free | 0.24100 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.600 |
Phasing software | CNS |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 19.210 | 2.000 | |
High resolution limit [Å] | 1.900 | 5.000 | 1.900 |
Rmerge | 0.068 | 0.021 | 0.495 |
Number of reflections | 50906 | ||
<I/σ(I)> | 16.65 | 54.1 | 3.1 |
Completeness [%] | 97.3 | 96.3 | 91 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.4 | 277 | 16-18% PEG-4000, 0.1M MES, 0.2M (NH4)2Ac, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 277K |