7O5F
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-161
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SEALED TUBE |
Source details | RIGAKU MICROMAX-003 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-06-04 |
Detector | DECTRIS PILATUS 200K |
Wavelength(s) | 1.54187 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 82.749, 112.429, 62.668 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.370 - 1.800 |
R-factor | 0.1862 |
Rwork | 0.184 |
R-free | 0.22040 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6qhl |
Data reduction software | DIALS |
Data scaling software | Aimless (0.7.2) |
Phasing software | MOLREP |
Refinement software | PHENIX (1.19_4092) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 41.370 | 41.350 | 1.850 |
High resolution limit [Å] | 1.800 | 8.050 | 1.800 |
Rmerge | 0.068 | 0.024 | 0.243 |
Rmeas | 0.074 | 0.027 | 0.284 |
Rpim | 0.030 | 0.012 | 0.145 |
Total number of observations | 1770 | 6582 | |
Number of reflections | 27402 | 353 | 1936 |
<I/σ(I)> | 18.2 | 44.5 | 3.4 |
Completeness [%] | 99.8 | 99.1 | 97.2 |
Redundancy | 6 | 5 | 3.4 |
CC(1/2) | 0.998 | 0.998 | 0.937 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.1 | 277 | 0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol |