6YE9
Small-molecule inhibitor of 14-3-3 protein-protein interactions
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SEALED TUBE |
Source details | RIGAKU MICROMAX-003 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-10-22 |
Detector | DECTRIS PILATUS 200K |
Wavelength(s) | 1.54187 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 82.836, 112.795, 62.715 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.560 - 1.800 |
R-factor | 0.1771 |
Rwork | 0.175 |
R-free | 0.21930 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4dht |
Data reduction software | DIALS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 34.560 | 1.830 |
High resolution limit [Å] | 1.800 | 1.800 |
Number of reflections | 27479 | 1292 |
<I/σ(I)> | 9.7 | |
Completeness [%] | 99.7 | |
Redundancy | 6.1 | |
CC(1/2) | 0.996 | 0.850 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.095 M HEPES Na (pH 7.1), 27% (v/v) PEG 400, 0.19 M CaCL2, 5% (v/v) Glycerol |