11SE
Covalent stabilizer compound 8 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 | 2021-09-16 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 61.051, 136.476, 163.101 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.130 - 2.239 |
| R-factor | 0.2184 |
| Rwork | 0.216 |
| R-free | 0.25620 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.860 |
| 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] | 81.550 | 2.360 |
| High resolution limit [Å] | 2.240 | 2.240 |
| Rmerge | 1.878 | |
| Number of reflections | 32377 | 4216 |
| <I/σ(I)> | 10.3 | 1 |
| Completeness [%] | 88.2 | |
| Redundancy | 7 | |
| CC(1/2) | 0.998 | 0.411 |
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 |
