7NPB
Crystal structure of 14-3-3 sigma in complex with 20mer Amot-p130 peptide and fragment 09
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-05-16 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.9762 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 82.177, 111.826, 62.766 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.750 - 1.370 |
| R-factor | 0.1556 |
| Rwork | 0.154 |
| R-free | 0.17930 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4jc3 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.022 |
| 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] | 41.750 | 1.419 |
| High resolution limit [Å] | 1.370 | 1.370 |
| Rmerge | 0.099 | 0.597 |
| Number of reflections | 60725 | 5935 |
| <I/σ(I)> | 36.29 | 3.47 |
| Completeness [%] | 99.6 | 97.86 |
| Redundancy | 13.3 | |
| CC(1/2) | 0.998 | 0.938 |
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 |
