6QHM
14-3-3 sigma with RelA/p65 binding site pS281
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 | 2017-07-03 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 1.033220 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 82.500, 111.940, 62.570 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 55.970 - 1.250 |
R-factor | 0.1372 |
Rwork | 0.136 |
R-free | 0.16000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3mhr |
RMSD bond length | 0.007 |
RMSD bond angle | 0.876 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 62.570 | 1.270 |
High resolution limit [Å] | 1.250 | 1.250 |
Rmerge | 0.075 | 0.744 |
Rmeas | 0.079 | 0.880 |
Number of reflections | 80102 | 4152 |
<I/σ(I)> | 15.2 | |
Completeness [%] | 99.9 | 99 |
Redundancy | 8.9 | 6.5 |
CC(1/2) | 0.999 | 0.723 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | 0.095 M HEPES Na pH 7.1, 28% PEG400, 0.19M Calcium chloride, 5% Glycerol |