6QHL
14-3-3 sigma with RelA/p65 binding site pS45
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 | 2017-06-18 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.99190 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 82.340, 112.390, 62.610 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 56.195 - 1.200 |
| R-factor | 0.1507 |
| Rwork | 0.150 |
| R-free | 0.16440 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.058 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 62.610 | 1.220 |
| High resolution limit [Å] | 1.200 | 1.200 |
| Rmerge | 0.074 | 0.391 |
| Rmeas | 0.078 | 0.438 |
| Number of reflections | 90213 | 4101 |
| <I/σ(I)> | 18.1 | |
| Completeness [%] | 99.4 | 92.5 |
| Redundancy | 11.2 | 5.7 |
| CC(1/2) | 0.998 | 0.900 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.1 | 277 | 0.095 M HEPES Na pH 7.1, 28% PEG400, 0.19M Calcium chloride, 5% Glycerol |
