7AXI
Crystal structure of the hPXR-LBD in complex with estradiol and cis-chlordane
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-07-17 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.87260 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 91.904, 91.904, 85.685 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.952 - 2.150 |
R-factor | 0.1747 |
Rwork | 0.173 |
R-free | 0.20250 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ilg |
RMSD bond length | 0.008 |
RMSD bond angle | 0.986 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHENIX |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.952 | 2.270 |
High resolution limit [Å] | 2.150 | 2.150 |
Rmeas | 0.082 | 0.472 |
Number of reflections | 20581 | 2927 |
<I/σ(I)> | 14.8 | 4.1 |
Completeness [%] | 100.0 | |
Redundancy | 6.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | 50 - 100 mM imidazole 8 - 14% isopropanol |