7OPW
Ternary complex of 14-3-3 sigma, Estrogen Receptor alfa phosphopeptide, and WQ136
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE MASSIF-1 |
Synchrotron site | ESRF |
Beamline | MASSIF-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-11-27 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 0.96546 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 81.981, 110.495, 61.228 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.020 - 1.810 |
R-factor | 0.1885 |
Rwork | 0.186 |
R-free | 0.22910 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4jc3 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.186 |
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] | 41.020 | 1.850 |
High resolution limit [Å] | 1.810 | 1.810 |
Rmerge | 0.168 | 1.024 |
Number of reflections | 25588 | 1491 |
<I/σ(I)> | 4.4 | 1 |
Completeness [%] | 99.5 | 99.2 |
Redundancy | 4.4 | 4.4 |
CC(1/2) | 0.976 | 0.506 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277.15 | 0.095 M HEPES pH7.5, 0.19 M CaCl2, 5% glycerol, 26% PEG 400. |