6Y3R
14-3-3 Sigma in complex with phosphorylated (Thr391) Gab2 peptide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-12-15 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.973 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 82.438, 111.896, 62.349 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.440 - 1.500 |
R-factor | 0.1841 |
Rwork | 0.182 |
R-free | 0.21960 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3lw1 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.748 |
Data reduction software | DIALS |
Data scaling software | DIALS |
Phasing software | PHASER |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 66.370 | 1.530 |
High resolution limit [Å] | 1.500 | 1.500 |
Number of reflections | 33470 | 211 |
<I/σ(I)> | 41.2 | |
Completeness [%] | 72.1 | |
Redundancy | 11 | |
CC(1/2) | 1.000 | 0.900 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | 28% (v/v) PEG400, 1.25% glycerol, 0.2M CaCl, 0.1M HEPES pH 7.5, 2mM BME |