8PP0
Crystal structure of Retinoic Acid Receptor alpha (RXRA) in complexed with JP147
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
| Synchrotron site | PETRA III, EMBL c/o DESY |
| Beamline | P13 (MX1) |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-11-27 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.03320 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 65.648, 65.648, 110.816 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.850 - 1.900 |
| R-factor | 0.18187 |
| Rwork | 0.180 |
| R-free | 0.22260 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.368 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.420 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.037 | 0.982 |
| Rmeas | 0.042 | 1.134 |
| Rpim | 0.015 | 0.397 |
| Number of reflections | 19823 | 2833 |
| <I/σ(I)> | 20.7 | 2 |
| Completeness [%] | 99.9 | |
| Redundancy | 7.8 | 8.1 |
| CC(1/2) | 1.000 | 0.849 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 23% PEG 3350, 0.1 M Ammonium actetate, 0.1 M tris pH 7.5 |
