4N8R
Crystal structure of RXRa LBD complexed with a synthetic modulator K-8008
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 | 2013-03-27 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.038, 99.347, 93.971 |
| Unit cell angles | 90.00, 98.68, 90.00 |
Refinement procedure
| Resolution | 50.400 - 2.030 |
| R-factor | 0.1932 |
| Rwork | 0.192 |
| R-free | 0.23860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1g1u |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.048 |
| 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] | 68.000 | 2.080 |
| High resolution limit [Å] | 2.030 | 2.030 |
| Rmerge | 0.160 | 0.014 |
| Number of reflections | 58010 | |
| <I/σ(I)> | 8.6 | 1 |
| Completeness [%] | 97.0 | 92 |
| Redundancy | 4.3 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 20% PEG3330, 0.2M Mg Formate, 100 MM NACL, 20 MM TRIS-CL, 0.5 MM LIGAND K-8008, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
