7NSV
14-3-3 sigma with p65 (RelA) binding site pS45 and covalently bound PC2046
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 | 2020-05-12 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 1.0332 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 82.288, 112.163, 62.634 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 66.350 - 1.330 |
R-factor | 0.2023 |
Rwork | 0.202 |
R-free | 0.21280 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6qhl |
Data reduction software | DIALS |
Data scaling software | Aimless (0.7.4) |
Phasing software | MOLREP |
Refinement software | PHENIX (1.19_4092) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 66.350 | 66.350 | 1.360 |
High resolution limit [Å] | 1.330 | 5.950 | 1.330 |
Rmerge | 0.103 | 0.057 | 1.369 |
Rmeas | 0.109 | 0.060 | 1.452 |
Rpim | 0.036 | 0.019 | 0.479 |
Total number of observations | 614027 | 7851 | 44441 |
Number of reflections | 66729 | 842 | 4896 |
<I/σ(I)> | 9.9 | 30.2 | 1.1 |
Completeness [%] | 100.0 | 99.8 | 100 |
Redundancy | 9.2 | 9.3 | 9.1 |
CC(1/2) | 0.998 | 0.998 | 0.722 |
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 |