5K13
Crystal structure of the RAR alpha ligand-binding domain in complex with an antagonist
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-02-06 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.97983 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 88.496, 62.541, 49.347 |
| Unit cell angles | 90.00, 106.05, 90.00 |
Refinement procedure
| Resolution | 23.930 - 1.850 |
| R-factor | 0.196 |
| Rwork | 0.195 |
| R-free | 0.22230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dkf |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.000 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.2.5) |
| Phasing software | MOLREP |
| Refinement software | BUSTER-TNT |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 23.932 | 23.932 | 1.810 |
| High resolution limit [Å] | 1.715 | 5.420 | 1.715 |
| Rmerge | 0.085 | 0.058 | 0.436 |
| Rmeas | 0.105 | ||
| Total number of observations | 134739 | ||
| Number of reflections | 26830 | ||
| <I/σ(I)> | 11 | 9.8 | 1.2 |
| Completeness [%] | 96.6 | 91.8 | 91.4 |
| Redundancy | 5 | 4.7 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 298 | 10-20% PEG 3350, 0.2M di-ammonium citrate |
