1XF0
Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 (AKR1C3) complexed with delta4-androstene-3,17-dione and NADP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X8C |
| Synchrotron site | NSLS |
| Beamline | X8C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-10-13 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9511 |
| Spacegroup name | P 63 |
| Unit cell lengths | 110.579, 110.579, 56.886 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 36.200 - 2.000 |
| R-factor | 0.17284 |
| Rwork | 0.170 |
| R-free | 0.22488 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1asf |
| RMSD bond length | 0.017 |
| RMSD bond angle | 2.408 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 26940 | |
| <I/σ(I)> | 9.91 | 2.46 |
| Completeness [%] | 99.6 | 98.6 |
| Redundancy | 8.1 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | PEG 8000, magnesium acetate, sodium cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
