7AXE
Crystal structure of the hPXR-LBD in complex with oxadiazon
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-06-25 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.976250 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 91.710, 91.710, 85.150 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.850 - 1.900 |
| R-factor | 0.192 |
| Rwork | 0.190 |
| R-free | 0.22990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ilg |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.807 |
| 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] | 45.850 | 2.010 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmeas | 0.092 | 0.676 |
| Number of reflections | 29168 | 4412 |
| <I/σ(I)> | 13.91 | 3.4 |
| Completeness [%] | 99.8 | |
| Redundancy | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 50 - 100 mM imidazole 8 - 14% isopropanol |
