7OQ9
Ternary complex of 14-3-3 sigma, Pin1pS72 phosphopeptide, and WQ136
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | RIGAKU MICROMAX-003 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-11-20 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 1.54187 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 82.512, 111.345, 61.865 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.850 - 1.800 |
| R-factor | 0.1617 |
| Rwork | 0.160 |
| R-free | 0.19710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4jc3 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.187 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.850 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.065 | 0.205 |
| Number of reflections | 26179 | 1234 |
| <I/σ(I)> | 15.7 | 5.3 |
| Completeness [%] | 98.0 | 91.7 |
| Redundancy | 6.2 | 5 |
| CC(1/2) | 0.985 | 0.969 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277.15 | 0.095 M Hepes pH7.1, 27%PEG 400, 0.19 M CaCl2, and 5 % Glycerol |
