7AXL
Crystal structure of the hPXR-LBD in complex with estradiol and heptachlor endo-epoxide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-06-29 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9998 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 91.177, 91.177, 85.396 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.590 - 2.500 |
| R-factor | 0.2019 |
| Rwork | 0.200 |
| R-free | 0.23180 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ilg |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.685 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.18_3845) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.950 | 2.600 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmeas | 0.095 | 0.648 |
| Number of reflections | 13015 | 1446 |
| <I/σ(I)> | 27.4 | 5.7 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 26 | 24 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 50 - 100 mM imidazole 8 - 14% isopropanol |
