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 |
