6YP8
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-033
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SEALED TUBE |
Source details | RIGAKU MICROMAX-003 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-10-16 |
Detector | DECTRIS PILATUS 200K |
Wavelength(s) | 1.54187 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 82.770, 112.750, 62.632 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.900 - 1.800 |
R-factor | 0.1929 |
Rwork | 0.191 |
R-free | 0.22790 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6qhl |
RMSD bond length | 0.004 |
RMSD bond angle | 0.617 |
Data reduction software | DIALS |
Data scaling software | Aimless (0.7.4) |
Phasing software | MOLREP |
Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 41.900 | 41.900 | 1.840 |
High resolution limit [Å] | 1.800 | 9.000 | 1.800 |
Rmerge | 0.063 | 0.017 | 0.286 |
Rmeas | 0.069 | 0.019 | 0.321 |
Rpim | 0.027 | 0.008 | 0.143 |
Total number of observations | 1337 | 7364 | |
Number of reflections | 27564 | 263 | 1576 |
<I/σ(I)> | 21.2 | 69.7 | 3.5 |
Completeness [%] | 99.8 | 99 | 97.6 |
Redundancy | 6.2 | 5.1 | 4.7 |
CC(1/2) | 0.999 | 0.999 | 0.943 |
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 |