7UJF
Estrogen Receptor Alpha Ligand Binding Domain in Complex with a Methylated Lasofoxifene Derivative with Selective Estrogen Receptor Degrader Properties
Replaces: 6VMUExperimental 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 | CCD |
Collection date | 2019-06-19 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.987 |
Spacegroup name | P 32 |
Unit cell lengths | 58.655, 58.655, 276.370 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 47.677 - 1.700 |
R-factor | 0.1969 |
Rwork | 0.195 |
R-free | 0.23920 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5ufx |
RMSD bond length | 0.009 |
RMSD bond angle | 1.218 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.730 |
High resolution limit [Å] | 1.700 | 1.700 |
Rpim | 0.083 | |
Number of reflections | 117080 | 1393 |
<I/σ(I)> | 10.1 | |
Completeness [%] | 100.0 | |
Redundancy | 4.9 | |
CC(1/2) | 0.669 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | PEG 8,000, Tris pH 7.7, MgCl2 |