7AOG
14-3-3 sigma in complex with Pin1 binding site pS72
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 | 2019-06-22 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 1.0332 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 82.426, 112.058, 62.649 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 56.029 - 1.500 |
| R-factor | 0.1662 |
| Rwork | 0.165 |
| R-free | 0.18430 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3mhr |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.905 |
| 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] | 62.650 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.055 | 0.736 |
| Rmeas | 0.058 | 0.859 |
| Rpim | 0.017 | 0.425 |
| Number of reflections | 44552 | 1508 |
| <I/σ(I)> | 20.1 | 1.6 |
| Completeness [%] | 95.1 | 64.3 |
| Redundancy | 10.5 | 3.8 |
| CC(1/2) | 0.999 | 0.527 |
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 |
