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 |
