8C2F
Structure of 14-3-3 sigma delta C with electrophilic peptide 3MHR-5
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 | 2022-06-17 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.03322 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 82.760, 112.156, 62.970 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 56.140 - 2.300 |
| R-factor | 0.20428 |
| Rwork | 0.201 |
| R-free | 0.26668 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.397 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 56.140 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Number of reflections | 13362 | 1279 |
| <I/σ(I)> | 8.2 | |
| Completeness [%] | 99.9 | |
| Redundancy | 13.1 | |
| CC(1/2) | 0.980 | 0.720 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.095 M HEPES pH 7.1, 28% (v/v) PEG400 0.19 M CaCl2, 5% (v/v) Glycerol |
