7YMK
Estrogen Receptor Alpha Ligand Binding Domain C381S C417S Y537S Mutant in Complex with an Covalent Selective Estrogen Receptor Degrader 29c and GRIP Peptide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | LIQUID ANODE |
Source details | BRUKER METALJET |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-10-30 |
Detector | Bruker PHOTON III |
Wavelength(s) | 1.34138 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 52.481, 101.480, 195.807 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.780 - 2.250 |
R-factor | 0.1971 |
Rwork | 0.194 |
R-free | 0.25310 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5di7 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.580 |
Data reduction software | SAINT |
Data scaling software | SAINT |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 33.780 | 2.280 |
High resolution limit [Å] | 2.250 | 2.250 |
Rmerge | 0.087 | 0.511 |
Number of reflections | 25394 | 1020 |
<I/σ(I)> | 12.27 | 2.24 |
Completeness [%] | 99.8 | 98.7 |
Redundancy | 10.11 | 6.48 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 295.15 | 18% (w/v) PEG 3350, 0.25 M Ammonium sulfate, and 0.1 M HEPES pH 7.5 |