3E94
Crystal structure of RXRalpha ligand binding domain in complex with tributyltin and a coactivator fragment
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM30A |
| Synchrotron site | ESRF |
| Beamline | BM30A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-07-18 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9797 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 64.028, 64.028, 111.882 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.630 - 1.900 |
| R-factor | 0.192 |
| Rwork | 0.190 |
| R-free | 0.22500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2p1t |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.206 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.2.19) |
| Phasing software | REFMAC (5) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 55.571 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.062 | 0.455 |
| Total number of observations | 24155 | |
| Number of reflections | 18558 | |
| <I/σ(I)> | 9.4 | 4.3 |
| Completeness [%] | 98.0 | 97.2 |
| Redundancy | 8.8 | 9.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 | 293 | PEG 4000, ammonium acetate, pH 7.5, VAPOR DIFFUSION, temperature 293K |
