3L03
Crystal Structure of human Estrogen Receptor alpha Ligand-Binding Domain in complex with a Glucocorticoid Receptor Interacting Protein 1 Nr Box II peptide and Estetrol (Estra-1,3,5(10)-triene-3,15 alpha,16alpha,17beta-tetrol)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-11-22 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.979 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 56.027, 84.203, 58.762 |
Unit cell angles | 90.00, 109.08, 90.00 |
Refinement procedure
Resolution | 32.954 - 1.896 |
R-factor | 0.1781 |
Rwork | 0.176 |
R-free | 0.21960 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1zky |
RMSD bond length | 0.013 |
RMSD bond angle | 1.438 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | Auto-Rickshaw |
Refinement software | PHENIX ((phenix.refine: 1.5_2)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.930 |
High resolution limit [Å] | 1.896 | 1.896 |
Rmerge | 0.048 | 0.516 |
Number of reflections | 40149 | |
<I/σ(I)> | 39.365 | 2.5 |
Completeness [%] | 98.1 | |
Redundancy | 4.7 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | 15% (v/v) ethanol, HEPES pH 7.5, MgCl2 , VAPOR DIFFUSION, SITTING DROP, temperature 289K |