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 |