7PDT
Crystal structure of a mutated form of RXRalpha ligand binding domain in complex with BMS649 and a coactivator fragment
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-11-12 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.972422 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 63.392, 68.526, 109.717 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.840 - 3.300 |
| R-factor | 0.194 |
| Rwork | 0.192 |
| R-free | 0.20750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3e94 |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.658 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.840 | 3.107 |
| High resolution limit [Å] | 3.300 | 3.000 |
| Number of reflections | 7562 | 965 |
| <I/σ(I)> | 10.77 | |
| Completeness [%] | 98.9 | |
| Redundancy | 4.9 | |
| CC(1/2) | 0.994 | 0.491 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 18% PEG3350, 0.2M Na Nitrate, 0.1M BisTris propane pH6.5 |
