9WB2
Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with Compound No.33 and GRIP Peptide
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL10U2 |
| Synchrotron site | SSRF |
| Beamline | BL10U2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2025-04-23 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 52.585, 101.875, 195.654 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.340 - 1.950 |
| R-factor | 0.19283 |
| Rwork | 0.190 |
| R-free | 0.23785 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.546 |
| Data reduction software | autoPX |
| Phasing software | PHASER (2.8.2) |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.000 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Number of reflections | 38618 | 2812 |
| <I/σ(I)> | 28.88 | |
| Completeness [%] | 99.9 | |
| Redundancy | 12.46 | |
| CC(1/2) | 0.999 | 0.506 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 295.15 | 20% (w/v) PEG 3350, 0.25 M Ammonium sulfate, and 0.1 M HEPES pH 7.5 |
