7O5A
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-158
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | RIGAKU MICROMAX-003 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-06-04 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 1.54187 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 82.819, 112.531, 62.653 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.410 - 1.800 |
| R-factor | 0.1982 |
| Rwork | 0.196 |
| R-free | 0.23920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6qhl |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.19_4092) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.410 | 1.850 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.080 | 0.236 |
| Rmeas | 0.087 | 0.263 |
| Rpim | 0.035 | 0.113 |
| Number of reflections | 27314 | 1924 |
| <I/σ(I)> | 15.8 | 3.7 |
| Completeness [%] | 99.4 | |
| Redundancy | 6.1 | 5.1 |
| CC(1/2) | 0.997 | 0.961 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.1 | 277 | 0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol |
