2HEJ
Crystal structure of 17alpha-hydroxysteroid dehydrogenase in complex with NADP(H) in a closed conformation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-03-28 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 74.500, 53.600, 86.500 |
| Unit cell angles | 90.00, 94.40, 90.00 |
Refinement procedure
| Resolution | 38.130 - 1.350 |
| R-factor | 0.201 |
| Rwork | 0.201 |
| R-free | 0.21800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2he8 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.200 |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 38.130 | 1.400 | |
| High resolution limit [Å] | 1.350 | 10.000 | 1.350 |
| Rmerge | 0.051 | 0.024 | 0.263 |
| Number of reflections | 142410 | ||
| <I/σ(I)> | 15.88 | 46.2 | 4.3 |
| Completeness [%] | 93.3 | 78.2 | 87.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 277 | 18% PEG-6000, 0.1M HEPES, 5% MPD, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
