9S2L
Ternary structure of 14-3-3s, CRAF R256S 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 | 60.853, 89.654, 117.730 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 54.060 - 1.850 |
| R-factor | 0.19418 |
| Rwork | 0.193 |
| R-free | 0.22343 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.015 |
| 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] | 54.060 | 1.890 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Number of reflections | 55454 | 3383 |
| <I/σ(I)> | 18.9 | |
| Completeness [%] | 99.4 | |
| Redundancy | 13.5 | |
| CC(1/2) | 0.999 | 0.848 |
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 |
