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 |