9I70
14-3-3sigma binding to the ERa peptide and compound 17
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-10-11 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.885603 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 82.271, 112.487, 62.646 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 56.310 - 1.400 |
| R-factor | 0.1212 |
| Rwork | 0.120 |
| R-free | 0.14697 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.164 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (v5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 56.310 | 1.420 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Number of reflections | 55481 | 2777 |
| <I/σ(I)> | 18.1 | 8 |
| Completeness [%] | 97.0 | |
| Redundancy | 11.3 | |
| CC(1/2) | 0.996 | 0.961 |
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 |
