9EW5
Ternary structure of 14-3-3s, C-RAF phosphopeptide (pS259) 12mer and compound 23 (1083848)
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 | 2023-11-16 |
| Detector | DECTRIS EIGER2 X CdTe 16M |
| Wavelength(s) | 0.873128 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 61.072, 90.017, 118.046 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 54.300 - 1.500 |
| R-factor | 0.1918 |
| Rwork | 0.190 |
| R-free | 0.21621 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.769 |
| Data reduction software | autoPROC |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 61.070 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Number of reflections | 104766 | 5125 |
| <I/σ(I)> | 12.8 | 1.2 |
| Completeness [%] | 100.0 | |
| Redundancy | 13.3 | |
| CC(1/2) | 0.999 | 0.697 |
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 |
