9FVI
Crystal structure of 14-3-3 sigma in complex with Tau pS214 peptide and covalent stabilizer JS18
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-3 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-3 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-07-12 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 0.967697 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 82.161, 112.206, 62.350 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.460 - 1.550 |
| R-factor | 0.18145 |
| Rwork | 0.180 |
| R-free | 0.21138 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.266 |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (REFMAC5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 62.350 | 1.580 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Number of reflections | 42025 | 2045 |
| <I/σ(I)> | 25.2 | |
| Completeness [%] | 99.8 | |
| Redundancy | 13.7 | |
| CC(1/2) | 0.999 | 0.943 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 10mg/mL 14-3-3sigma delta C, 1.5eq peptide, 0.095 M HEPES pH 7.1, 28% PEG400, 0.19 M CaCl2, 5% (v/v) glycerol compound soaked |
