2HDJ
Crystal structure of human type 3 3alpha-hydroxysteroid dehydrogenase in complex with NADP(H)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2006-02-10 |
Detector | RIGAKU RAXIS IIC |
Wavelength(s) | 1.5418 |
Spacegroup name | H 3 2 |
Unit cell lengths | 143.840, 143.840, 204.250 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.190 - 2.000 |
R-factor | 0.196 |
Rwork | 0.196 |
R-free | 0.22600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1xjb |
RMSD bond length | 0.006 |
RMSD bond angle | 1.400 |
Phasing software | CNS |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 19.190 | 2.100 | |
High resolution limit [Å] | 2.000 | 6.000 | 2.000 |
Rmerge | 0.074 | 0.021 | 0.421 |
Number of reflections | 54795 | ||
<I/σ(I)> | 17.89 | 55.6 | 4.3 |
Completeness [%] | 99.1 | 99.6 | 98.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 277 | 24% PEG-4000, 0.1M MES, 0.2M (NH4)2Ac, 0.01M EDTA, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |