9FVH
Crystal structure of 14-3-3 sigma in complex with Tau pS214 peptide and covalent stabilizer JS17
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID30B |
Synchrotron site | ESRF |
Beamline | ID30B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-09-16 |
Detector | DECTRIS EIGER2 X 9M |
Wavelength(s) | 0.873129 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 82.100, 112.402, 62.433 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 66.300 - 1.450 |
R-factor | 0.14873 |
Rwork | 0.147 |
R-free | 0.17593 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.015 |
RMSD bond angle | 1.380 |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (REFMAC5) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 66.300 | 1.470 |
High resolution limit [Å] | 1.450 | 1.450 |
Number of reflections | 51458 | 2506 |
<I/σ(I)> | 24.9 | |
Completeness [%] | 100.0 | |
Redundancy | 14 | |
CC(1/2) | 0.999 | 0.947 |
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 |