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 |