7OQA
Ternary complex of 14-3-3 sigma, Pin1pS72 phosphopeptide, and WQ162
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SEALED TUBE |
Source details | RIGAKU MICROMAX-003 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-11-20 |
Detector | DECTRIS PILATUS 200K |
Wavelength(s) | 1.54187 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 82.746, 111.499, 62.376 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.480 - 1.800 |
R-factor | 0.167 |
Rwork | 0.165 |
R-free | 0.21320 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4jc3 |
RMSD bond length | 0.009 |
RMSD bond angle | 0.961 |
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] | 34.480 | 1.830 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.053 | 0.171 |
Number of reflections | 26680 | 1199 |
<I/σ(I)> | 20.2 | 6.3 |
Completeness [%] | 98.4 | 88.9 |
Redundancy | 6.1 | |
CC(1/2) | 0.998 | 0.977 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277.15 | 0.095 M Hepes pH7.1, 27%PEG 400, 0.19 M CaCl2, and 5 % Glycerol |