7OQ7
Ternary complex of 14-3-3 sigma, Estrogen Receptor alfa phosphopeptide, and WQ162
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-1 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-11-27 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.96546 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 82.609, 110.745, 61.049 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.010 - 1.600 |
| R-factor | 0.1803 |
| Rwork | 0.179 |
| R-free | 0.19750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4jc3 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.088 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.010 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.101 | 1.027 |
| Number of reflections | 37197 | 1811 |
| <I/σ(I)> | 6.5 | 1.1 |
| Completeness [%] | 99.8 | 99.8 |
| Redundancy | 4.5 | |
| CC(1/2) | 0.994 | 0.487 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277.15 | 0.095 M Hepes pH 7.5, 26%PEG 400, 0.19 M CaCl2, and 5 % Glycerol |
