30ZW
Binary structure of 14-3-3sigma and interaction cassette phosphopeptide
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 | 2022-03-03 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 1.0332 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 82.195, 112.202, 62.667 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.590 - 1.400 |
| R-factor | 0.16385 |
| Rwork | 0.163 |
| R-free | 0.17404 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.879 |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0430) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.590 | 1.420 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.161 | 0.457 |
| Rmeas | 0.179 | 0.510 |
| Rpim | 0.077 | 0.223 |
| Total number of observations | 13241 | |
| Number of reflections | 57109 | 2693 |
| <I/σ(I)> | 21.8 | 2.2 |
| Completeness [%] | 99.7 | |
| Redundancy | 5.3 | 4.9 |
| CC(1/2) | 0.982 | 0.797 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | the complex was set up for hanging-drop crystallization with precipitation buffer consisting of 0.095 M HEPES (pH 7.1), 27% or 29% (v/v) PEG 400, 0.19 M CaCl2 and 5% (v/v) glycerol |
