7BGV
14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1012
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | RIGAKU MICROMAX-003 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-01-29 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 1.54187 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 82.515, 112.532, 62.778 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.257 - 1.683 |
| R-factor | 0.2147 |
| Rwork | 0.213 |
| R-free | 0.24570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7aog |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.443 |
| 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] | 41.260 | 1.710 |
| High resolution limit [Å] | 1.680 | 1.680 |
| Rmerge | 0.160 | 0.570 |
| Rmeas | 0.175 | 0.751 |
| Rpim | 0.071 | 0.482 |
| Number of reflections | 31746 | 1012 |
| <I/σ(I)> | 5.7 | 0.9 |
| Completeness [%] | 94.8 | 61.5 |
| Redundancy | 5.4 | |
| CC(1/2) | 0.991 | 0.681 |
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 |
