6XY5
Ternary complex of 14-3-3 sigma (C38N), Estrogen Related Receptor gamma (DBD) phosphopeptide, and disulfide PPI stabilizer 5
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-12-01 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9686 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 82.302, 112.109, 62.571 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 56.054 - 1.300 |
R-factor | 0.1628 |
Rwork | 0.162 |
R-free | 0.17750 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3p1n |
Data reduction software | DIALS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 66.340 | 1.320 |
High resolution limit [Å] | 1.300 | 1.300 |
Number of reflections | 71045 | 3575 |
<I/σ(I)> | 13.6 | 4.1 |
Completeness [%] | 99.7 | |
Redundancy | 12.6 | |
CC(1/2) | 0.998 | 0.912 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | 0.095 M HEPES (pH 7.3), 0.19 M CaCl2, 25% (v/v) PEG 400 and 5% (v/v) glycerol |