9FZH
Crystal structure of the hPXR-LBD in complex with compound JMV6995
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-1 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-07-19 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9660 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 90.770, 90.770, 87.330 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.270 - 2.500 |
| R-factor | 0.2181 |
| Rwork | 0.216 |
| R-free | 0.25650 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.086 |
| 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] | 40.270 | 2.560 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Number of reflections | 12658 | 956 |
| <I/σ(I)> | 27.12 | 4.99 |
| Completeness [%] | 96.4 | 100 |
| Redundancy | 7.3 | 8.4 |
| CC(1/2) | 0.999 | 0.970 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 291 | 50 - 100 mM imidazole 8 - 14% isopropanol |
