3R2A
Crystal structure of RXRalpha ligand-binding domain complexed with corepressor SMRT2 and antagonist rhein
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 277 |
| Detector technology | CCD |
| Collection date | 2011-01-18 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 85.030, 117.580, 117.120 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.520 - 3.000 |
| R-factor | 0.25812 |
| Rwork | 0.254 |
| R-free | 0.33492 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3nsp |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.353 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 82.979 | 3.100 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.083 | 0.542 |
| Number of reflections | 23843 | |
| <I/σ(I)> | 29.8 | 4.1 |
| Completeness [%] | 99.0 | 100 |
| Redundancy | 3.6 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 100 mM sodium cacodylate, 20% PEG4000, 100 mM magnesium acetate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
