6YGJ
small-molecule stabilizer of 14-3-3 and the Carbohydrate Response Element Binding Protein (ChREBP) protein-protein interaction
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 | 2018-05-18 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 1.03320 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 98.787, 76.686, 90.289 |
Unit cell angles | 90.00, 119.22, 90.00 |
Refinement procedure
Resolution | 57.300 - 2.070 |
R-factor | 0.2237 |
Rwork | 0.221 |
R-free | 0.27710 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5f74 |
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] | 57.300 | 2.140 |
High resolution limit [Å] | 2.070 | 2.070 |
Number of reflections | 35961 | 3582 |
<I/σ(I)> | 14.8 | |
Completeness [%] | 99.9 | |
Redundancy | 50.51 | |
CC(1/2) | 0.999 | 0.973 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 295 | 0.1M HEPES (pH 7.1), 30% MPD, 1% PEG 4000, 0.1 M Ni(II)Cl 6H2O |