7NY4
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-130
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-04-18 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.96862 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 82.503, 112.231, 62.565 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.770 - 1.400 |
R-factor | 0.175 |
Rwork | 0.174 |
R-free | 0.18710 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6qhl |
RMSD bond length | 0.016 |
RMSD bond angle | 1.520 |
Data reduction software | DIALS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | PHENIX (1.19_4092) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 66.470 | 1.430 |
High resolution limit [Å] | 1.400 | 1.400 |
Rmerge | 0.055 | 0.130 |
Rmeas | 0.057 | 0.136 |
Rpim | 0.016 | 0.038 |
Number of reflections | 57423 | 2988 |
<I/σ(I)> | 33.4 | 16.4 |
Completeness [%] | 100.0 | 100 |
Redundancy | 12.8 | 12.7 |
CC(1/2) | 0.998 | 0.993 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | 0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol |