2HE5
Crystal structure of 17alpha-hydroxysteroid dehydrogenase in binary complex with NADP(H) in an open conformation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM30A |
| Synchrotron site | ESRF |
| Beamline | BM30A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-12-03 |
| Wavelength(s) | 0.933 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.480, 166.760, 69.550 |
| Unit cell angles | 90.00, 97.60, 90.00 |
Refinement procedure
| Resolution | 19.910 - 2.900 |
| R-factor | 0.218 |
| Rwork | 0.218 |
| R-free | 0.27900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.300 |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 19.910 | 3.000 | |
| High resolution limit [Å] | 2.900 | 6.000 | 2.900 |
| Rmerge | 0.126 | 0.053 | 0.368 |
| Number of reflections | 27939 | ||
| <I/σ(I)> | 9.01 | 17 | 3.4 |
| Completeness [%] | 98.2 | 98.1 | 97.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.4 | 277 | 22-24% PEG-4000, 0.1M MES, 0.2M (NH4)2Ac, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
