7OBT
Crystal structure of 14-3-3 sigma in complex with RIPK2 phosphopeptide and stabilizer Fusicoccin-A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | RIGAKU MICROMAX-003 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-09-01 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 1.5419 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 82.952, 111.880, 62.686 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.340 - 2.300 |
| R-factor | 0.2065 |
| Rwork | 0.204 |
| R-free | 0.24640 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4jc3 |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.670 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.340 | 2.360 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.102 | 0.227 |
| Number of reflections | 12751 | 796 |
| <I/σ(I)> | 20.4 | 7.5 |
| Completeness [%] | 96.5 | 84.1 |
| Redundancy | 12 | 9.8 |
| CC(1/2) | 0.997 | 0.990 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277.15 | 0.095 M Hepes pH7.7, 23%PEG 400, 0.19 M CaCl2 and 5 % Glycerol |
