9VTU
Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with Compound 20a and GRIP Peptide
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2025-03-08 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 52.592, 101.670, 196.681 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.660 - 2.090 |
| R-factor | 0.20294 |
| Rwork | 0.200 |
| R-free | 0.26803 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.685 |
| Data reduction software | autoPROC |
| Data scaling software | autoPROC |
| Phasing software | PHASER (2.8.2) |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.160 |
| High resolution limit [Å] | 2.090 | 2.090 |
| Rmerge | 0.053 | 0.504 |
| Number of reflections | 30425 | 2854 |
| <I/σ(I)> | 24.72 | |
| Completeness [%] | 96.1 | |
| Redundancy | 4.6 |
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 |
