9FZG
Crystal structure of the hPXR-LBD in complex with compound JMV7035
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-11-10 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.979334 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 91.040, 91.040, 86.600 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.710 - 2.000 |
| R-factor | 0.1935 |
| Rwork | 0.191 |
| R-free | 0.23690 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.960 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.710 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 25135 | 1814 |
| <I/σ(I)> | 28.9 | 4.56 |
| Completeness [%] | 99.8 | 99.9 |
| Redundancy | 8.9 | 8.8 |
| CC(1/2) | 1.000 | 0.927 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 50 - 100 mM imidazole 8 - 14% isopropanol |
