9S2M
Ternary structure of 14-3-3s, CRAF S257L NS mutant phosphopeptide (pS259), and compound 23 (1083848)
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 | P 2 21 21 |
| Unit cell lengths | 61.143, 89.635, 118.387 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.560 - 2.000 |
| R-factor | 0.19372 |
| Rwork | 0.192 |
| R-free | 0.22656 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.943 |
| 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] | 59.190 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 44627 | 3269 |
| <I/σ(I)> | 17.1 | |
| Completeness [%] | 99.7 | |
| Redundancy | 12.5 | |
| CC(1/2) | 0.998 | 0.945 |
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 |
