9S2I
Ternary structure of 14-3-3, CRAF R256S NS mutant phosphopeptide (pS259), and compound 78 (1124378)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-05-15 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.873128 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 82.511, 112.822, 63.017 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 66.600 - 1.670 |
| R-factor | 0.17728 |
| Rwork | 0.176 |
| R-free | 0.20103 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.396 |
| Data reduction software | autoPROC |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PDB-REDO |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 66.600 | 1.700 |
| High resolution limit [Å] | 1.670 | 1.670 |
| Number of reflections | 34311 | 1766 |
| <I/σ(I)> | 9.5 | |
| Completeness [%] | 99.6 | |
| Redundancy | 4.1 | |
| CC(1/2) | 0.996 | 0.742 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.095 M HEPES pH=7.1-7.7 0.19 M CaCl2 5% glycerol 24-29% PEG400 |
