7AXJ
Crystal structure of the hPXR-LBD in complex with estradiol and clotrimazole
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE MASSIF-3 |
Synchrotron site | ESRF |
Beamline | MASSIF-3 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-06-07 |
Detector | DECTRIS EIGER2 X 4M |
Wavelength(s) | 0.9677 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 91.280, 91.280, 86.420 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.910 - 2.300 |
R-factor | 0.1968 |
Rwork | 0.195 |
R-free | 0.22230 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ilg |
RMSD bond length | 0.003 |
RMSD bond angle | 0.610 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX (1.18_3845) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.640 | 2.360 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmeas | 0.068 | 0.649 |
Number of reflections | 16757 | 1204 |
<I/σ(I)> | 20.9 | 3.5 |
Completeness [%] | 99.8 | |
Redundancy | 9.4 | 9.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | 50 - 100 mM imidazole 8 - 14% isopropanol |