9FZJ
A new crystal structure of the hPXR-LBD in complex with SR12813 (P43212 form)
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 | 2018-04-19 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9660 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 91.520, 91.520, 85.700 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.370 - 1.600 |
| R-factor | 0.1833 |
| Rwork | 0.182 |
| R-free | 0.20860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.845 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.21rc1_5109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.370 | 1.640 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Number of reflections | 48366 | 3369 |
| <I/σ(I)> | 32.94 | 2.91 |
| Completeness [%] | 99.6 | 95.7 |
| Redundancy | 11.2 | 4.5 |
| CC(1/2) | 1.000 | 0.835 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 291 | 50 - 100 mM imidazole / 8 - 14% isopropanol |
