11SG
Covalent stabilizer compound 11 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 | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-05-30 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.000 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 55.495, 138.740, 157.757 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 78.880 - 2.600 |
| R-factor | 0.1995 |
| Rwork | 0.197 |
| R-free | 0.24820 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.870 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.8 (17-JUL-2025)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 78.880 | 2.360 |
| High resolution limit [Å] | 2.240 | 2.240 |
| Number of reflections | 30730 | 4432 |
| <I/σ(I)> | 11.4 | |
| Completeness [%] | 100.0 | |
| Redundancy | 13.1 | |
| CC(1/2) | 0.999 | 0.548 |
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 |
