8BM5
Ternary structure of 14-3-3s, ERRg phosphopeptide and dual-reactive compound 7
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, DESY BEAMLINE P11 |
| Synchrotron site | PETRA III, DESY |
| Beamline | P11 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-11-04 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0332 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 82.636, 111.994, 62.619 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.590 - 1.400 |
| R-factor | 0.1665 |
| Rwork | 0.166 |
| R-free | 0.18610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6y1d |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.918 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.20.1-4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.590 | 1.420 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Number of reflections | 57237 | 2766 |
| <I/σ(I)> | 36.8 | 9.8 |
| Completeness [%] | 99.8 | |
| Redundancy | 13.4 | |
| CC(1/2) | 1.000 | 0.989 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.095 M Hepes pH 7.1, 0.19 M CaCl2, 25% PEG400, 5% glycerol |
