11SD
Covalent stabilizer compound 6 for the interaction between 14-3-3 sigma and Estrogen receptor-alpha peptide
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-01-22 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97946 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 60.693, 136.413, 162.467 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 81.230 - 2.816 |
| R-factor | 0.2147 |
| Rwork | 0.213 |
| R-free | 0.25110 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.870 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.8) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 81.230 | 2.970 |
| High resolution limit [Å] | 2.820 | 2.820 |
| Number of reflections | 16790 | 2415 |
| <I/σ(I)> | 13.7 | |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 6.6 | |
| CC(1/2) | 0.998 | 0.833 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 277 | 0.2M sodium acetate, 0.1M Tris Hcl pH 8.5, 30% PEG 4000 |
