2IPF
Crystal structure of 17alpha-hydroxysteroid dehydrogenase in complex with NADP+ and epi-testosterone
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2006-05-06 |
Detector | RIGAKU RAXIS IIC |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 49.230, 97.400, 79.460 |
Unit cell angles | 90.00, 99.26, 90.00 |
Refinement procedure
Resolution | 19.640 - 1.850 |
Rwork | 0.171 |
R-free | 0.20000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2hej |
RMSD bond length | 0.006 |
RMSD bond angle | 1.200 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.640 | 1.900 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.085 | 0.366 |
Number of reflections | 59634 | |
<I/σ(I)> | 16.22 | 3.4 |
Completeness [%] | 94.5 | 89.4 |
Redundancy | 5 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | hanging drop | 8 | 277 | PEG-6000 18%, 0.1M TRIS, 5% MPD, hanging drop, temperature 277K |
1 | hanging drop | 8 | 277 | PEG-6000 18%, 0.1M TRIS, 5% MPD, hanging drop, temperature 277K |