3R5M
Crystal structure of RXRalphaLBD complexed with the agonist magnolol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-05-15 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 65.950, 65.830, 110.290 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 56.600 - 2.800 |
| R-factor | 0.25161 |
| Rwork | 0.249 |
| R-free | 0.29279 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2p1t |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.069 |
| 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] | 110.432 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.850 |
| Rmerge | 0.056 | 0.381 |
| Number of reflections | 11863 | |
| <I/σ(I)> | 11.8 | 2.7 |
| Completeness [%] | 98.7 | 99.7 |
| Redundancy | 3.6 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 20% PEG3350, 100 mM Tris, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
