7NND
Crystal structure of 14-3-3 sigma in complex with 13mer Amot-p130 peptide and fragment 09
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-03-02 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.91587 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 81.835, 111.600, 62.702 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.460 - 1.400 |
R-factor | 0.1539 |
Rwork | 0.153 |
R-free | 0.17230 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4jc3 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.013 |
Data reduction software | DIALS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 62.720 | 1.440 |
High resolution limit [Å] | 1.400 | 1.400 |
Rmerge | 0.036 | 0.230 |
Number of reflections | 55890 | 4058 |
<I/σ(I)> | 18.1 | 3.7 |
Completeness [%] | 98.7 | |
Redundancy | 4 | |
CC(1/2) | 0.999 | 0.915 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277.15 | 0.095 M Hepes pH 7.5, 26% PEG 400, 0.19 M CaCl2 and 5% Glycerol |