3KMR
Crystal structure of RARalpha ligand binding domain in complex with an agonist ligand (Am580) and a coactivator fragment
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Detector technology | CCD |
| Collection date | 2008-12-14 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9395 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 88.307, 61.218, 49.444 |
| Unit cell angles | 90.00, 105.38, 90.00 |
Refinement procedure
| Resolution | 32.020 - 1.800 |
| R-factor | 0.19875 |
| Rwork | 0.197 |
| R-free | 0.23716 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dkf |
| RMSD bond length | 0.010 |
| RMSD bond angle | 2.700 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.4.0062) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.000 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.030 | 0.226 |
| Number of reflections | 22172 | |
| <I/σ(I)> | 16.2 | 3.6 |
| Redundancy | 2.6 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 15% (w/v) PEG 6000, 5% (w/v) glycerol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
