7NNE
Crystal structure of 14-3-3 sigma in complex with 13mer Amot-p130 peptide and fragment 22
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 | 2019-12-12 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.91587 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 82.277, 111.256, 62.438 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.410 - 1.960 |
| R-factor | 0.2133 |
| Rwork | 0.211 |
| R-free | 0.26010 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4jc3 |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.480 |
| 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] | 62.470 | 2.010 |
| High resolution limit [Å] | 1.960 | 1.960 |
| Rpim | 0.146 | 0.448 |
| Number of reflections | 20993 | 1506 |
| <I/σ(I)> | 4.6 | 1.6 |
| Completeness [%] | 99.9 | |
| Redundancy | 11 | |
| CC(1/2) | 0.986 | 0.477 |
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 |
