1L2I
Human Estrogen Receptor alpha Ligand-binding Domain in Complex with (R,R)-5,11-cis-diethyl-5,6,11,12-tetrahydrochrysene-2,8-diol and a Glucocorticoid Receptor Interacting Protein 1 NR box II Peptide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 103 |
Detector technology | CCD |
Collection date | 1999-10-24 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.10 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 54.545, 82.600, 59.040 |
Unit cell angles | 90.00, 111.53, 90.00 |
Refinement procedure
Resolution | 46.800 - 1.950 |
R-factor | 0.203 * |
Rwork | 0.203 |
R-free | 0.24300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3erd |
RMSD bond length | 0.005 |
RMSD bond angle | 17.990 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.800 | 2.020 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.065 * | 0.531 * |
Total number of observations | 119409 * | |
Number of reflections | 34533 | |
<I/σ(I)> | 18.8 | 2.9 |
Completeness [%] | 97.9 | 97.7 |
Redundancy | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.8 | 19-21 * | 16% (w/v) PEG 4000, 50 mM Magnesium chloride, 53 mM Tris pH 8.8 292-294 K, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 5.0 (mg/ml) | |
2 | 1 | reservoir | PEG4000 | 16 (%(w/v)) | |
3 | 1 | reservoir | Tris-HCl | 53 (mM) | pH8.8 |
4 | 1 | reservoir | 50 (mM) |