7AXH
Crystal structure of the hPXR-LBD in complex with alpha-zearalanol
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 | 91.903, 91.903, 86.125 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.100 - 2.550 |
R-factor | 0.176 |
Rwork | 0.174 |
R-free | 0.21410 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ilg |
RMSD bond length | 0.009 |
RMSD bond angle | 1.015 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHENIX |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.950 | 2.690 |
High resolution limit [Å] | 2.550 | 2.550 |
Rmeas | 0.114 | 0.498 |
Number of reflections | 12538 | 1798 |
<I/σ(I)> | 12.4 | 4 |
Completeness [%] | 100.0 | 100 |
Redundancy | 7.9 | 8.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | 50 - 100 mM imidazole 8 - 14% isopropanol |