9W13
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with ZEN-P
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | LIQUID ANODE |
| Source details | BRUKER METALJET |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2025-06-20 |
| Detector | Bruker PHOTON III |
| Wavelength(s) | 1.34138 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 53.062, 101.765, 195.648 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.690 - 2.050 |
| R-factor | 0.18253 |
| Rwork | 0.180 |
| R-free | 0.22396 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.537 |
| Data reduction software | SAINT |
| Data scaling software | SAINT |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.120 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Number of reflections | 30472 | 3213 |
| <I/σ(I)> | 19.58 | |
| Completeness [%] | 97.1 | |
| Redundancy | 4 | |
| CC(1/2) | 0.995 | 0.893 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 298 | 18% (w/v) PEG 3350, 0.25 M Ammonium sulfate, and 0.1 M HEPES pH 7.5 |
