3KMR
Crystal structure of RARalpha ligand binding domain in complex with an agonist ligand (Am580) and a coactivator fragment
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
Detector technology | CCD |
Collection date | 2008-12-14 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9395 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 88.307, 61.218, 49.444 |
Unit cell angles | 90.00, 105.38, 90.00 |
Refinement procedure
Resolution | 32.020 - 1.800 |
R-factor | 0.19875 |
Rwork | 0.197 |
R-free | 0.23716 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1dkf |
RMSD bond length | 0.010 |
RMSD bond angle | 2.700 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.4.0062) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.000 | 1.900 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.030 | 0.226 |
Number of reflections | 22172 | |
<I/σ(I)> | 16.2 | 3.6 |
Redundancy | 2.6 | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 15% (w/v) PEG 6000, 5% (w/v) glycerol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |