7NND
Crystal structure of 14-3-3 sigma in complex with 13mer Amot-p130 peptide and fragment 09
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-03-02 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.91587 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 81.835, 111.600, 62.702 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.460 - 1.400 |
| R-factor | 0.1539 |
| Rwork | 0.153 |
| R-free | 0.17230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4jc3 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.013 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 62.720 | 1.440 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.036 | 0.230 |
| Number of reflections | 55890 | 4058 |
| <I/σ(I)> | 18.1 | 3.7 |
| Completeness [%] | 98.7 | |
| Redundancy | 4 | |
| CC(1/2) | 0.999 | 0.915 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277.15 | 0.095 M Hepes pH 7.5, 26% PEG 400, 0.19 M CaCl2 and 5% Glycerol |
