5W9D
Estrogen Receptor Alpha Ligand Binding Domain C381S, C417S, C530S Mutant in Complex with Endoxifen
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2016-04-16 |
Detector | MAR scanner 300 mm plate |
Wavelength(s) | 0.97 |
Spacegroup name | P 65 |
Unit cell lengths | 57.980, 57.980, 277.001 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.615 - 1.646 |
R-factor | 0.169 |
Rwork | 0.168 |
R-free | 0.19520 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5acc |
RMSD bond length | 0.018 |
RMSD bond angle | 1.757 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 19.615 |
High resolution limit [Å] | 1.646 |
Number of reflections | 56989 |
<I/σ(I)> | 2 |
Completeness [%] | 90.0 |
Redundancy | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | PEG 8,000, Magnesium Chloride, Tris pH 8.0 |