6Y3V
14-3-3 Sigma in complex with phosphorylated c-Jun peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-12-01 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9686 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 82.683, 112.054, 62.578 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 66.531 - 1.499 |
| R-factor | 0.194 |
| Rwork | 0.193 |
| R-free | 0.22100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3lw1 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.728 |
| Data reduction software | DIALS |
| Data scaling software | DIALS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.16_3549: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 66.531 | 1.530 |
| High resolution limit [Å] | 1.499 | 1.500 |
| Number of reflections | 46803 | 2252 |
| <I/σ(I)> | 3.7 | |
| Completeness [%] | 99.0 | |
| Redundancy | 11.9 | |
| CC(1/2) | 0.483 | 0.289 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 28% (v/v) PEG400, 1.25% glycerol, 0.2M CaCl, 0.1M HEPES pH 7.5, 2mM BME |
