8C2E
Structure of 14-3-3 sigma delta C with electrophilic peptide 4IEA-5
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 | 2022-06-17 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.03322 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 82.513, 111.724, 63.077 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 55.920 - 2.200 |
R-factor | 0.17757 |
Rwork | 0.175 |
R-free | 0.22067 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.515 |
Data reduction software | DIALS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 55.920 | 2.270 |
High resolution limit [Å] | 2.200 | 2.200 |
Number of reflections | 15133 | 1292 |
<I/σ(I)> | 12.1 | |
Completeness [%] | 99.7 | |
Redundancy | 12.8 | |
CC(1/2) | 0.991 | 0.895 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.095 M HEPES pH 7.7, 24% (v/v) PEG400 0.19 M CaCl2, 5% (v/v) Glycerol |