7NKE
Crystal structure of human RXRalpha ligand binding domain in complex with 2,4-di-tert-butylphenol and a coactivator fragment
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 | 2021-01-31 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.96546 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 62.706, 67.303, 108.832 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 57.240 - 2.350 |
| R-factor | 0.17931 |
| Rwork | 0.175 |
| R-free | 0.24576 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3e94 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.642 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 57.250 | 2.480 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Rmerge | 0.080 | 0.458 |
| Number of reflections | 19758 | 2852 |
| <I/σ(I)> | 13 | |
| Completeness [%] | 99.7 | |
| Redundancy | 4.8 | |
| CC(1/2) | 0.998 | 0.883 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 20% PEG 3350 0.2 M sodium formate |
