9I6S
14-3-3sigma binding to the ERa peptide and compound 28
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-06-14 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.873128 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 82.960, 113.103, 62.965 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.890 - 1.300 |
| R-factor | 0.15162 |
| Rwork | 0.150 |
| R-free | 0.18217 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.499 |
| Data reduction software | autoPROC |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PDB-REDO |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 66.890 | 1.320 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Number of reflections | 72898 | 3565 |
| <I/σ(I)> | 16.8 | 2.1 |
| Completeness [%] | 100.0 | |
| Redundancy | 11.3 | |
| CC(1/2) | 0.999 | 0.726 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.095 M HEPES pH=7.1-7.7 0.19 M CaCl2 5% glycerol 24-29% PEG400 |
