7AYF
14-3-3 sigma with Pin1 binding site pS72 and covalently bound TCF521-110
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | RIGAKU MICROMAX-003 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-11-17 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 1.54187 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 82.312, 112.002, 62.673 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.163 - 1.752 |
| R-factor | 0.176 |
| Rwork | 0.174 |
| R-free | 0.21660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7aog |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.754 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.12) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.163 | 1.780 |
| High resolution limit [Å] | 1.752 | 1.752 |
| Rmerge | 0.161 | 0.641 |
| Rmeas | 0.176 | 0.738 |
| Rpim | 0.070 | 0.356 |
| Number of reflections | 28956 | 1089 |
| <I/σ(I)> | 7.9 | 1.8 |
| Completeness [%] | 98.1 | 74 |
| Redundancy | 6 | 3.7 |
| CC(1/2) | 0.993 | 0.673 |
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 |
