7BDY
14-3-3 sigma with Pin1 binding site pS72 and covalently bound PC2068B
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | RIGAKU MICROMAX-003 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-10-19 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 1.54187 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 82.305, 111.924, 62.537 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.153 - 1.801 |
| R-factor | 0.1668 |
| Rwork | 0.165 |
| R-free | 0.19920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7aog |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.866 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.153 | 1.850 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.050 | 0.149 |
| Rmeas | 0.054 | 0.165 |
| Rpim | 0.021 | 0.069 |
| Number of reflections | 26632 | 1829 |
| <I/σ(I)> | 24.3 | 8.9 |
| Completeness [%] | 98.4 | 93.6 |
| Redundancy | 6.2 | 5.3 |
| CC(1/2) | 0.999 | 0.988 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol |
