8QS3
Ternary structure of 14-3-3s, C-RAF phosphopeptide (pS259) and compound 23 (1083848)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-04-30 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.885603 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 60.685, 89.262, 116.969 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 70.960 - 1.600 |
| R-factor | 0.18475 |
| Rwork | 0.184 |
| R-free | 0.19922 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.084 |
| 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] | 116.970 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Number of reflections | 83028 | 4109 |
| <I/σ(I)> | 16.6 | 1.8 |
| Completeness [%] | 98.2 | |
| Redundancy | 13.1 | |
| CC(1/2) | 0.999 | 0.727 |
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 |
