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 |