4N5G
Crystal Structure of RXRa LBD complexed with a synthetic modulator K8012
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 200 |
| Detector technology | PIXEL |
| Collection date | 2013-05-13 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.585, 98.830, 110.579 |
| Unit cell angles | 90.00, 99.02, 90.00 |
Refinement procedure
| Resolution | 37.000 - 2.110 |
| R-factor | 0.2012 |
| Rwork | 0.199 |
| R-free | 0.24680 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1g1u |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.728 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.242 | 2.170 |
| High resolution limit [Å] | 2.110 | 2.110 |
| Rmerge | 0.079 | 0.800 |
| Number of reflections | 48947 | |
| <I/σ(I)> | 8.1 | 1.6 |
| Completeness [%] | 86.0 | 50 |
| Redundancy | 3.6 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 20% PEG3330, 0.2M Na Acetate, 100 mM NaCl, 20 mM Tris-Cl, 0.5 mM ligand K-8012, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
