7NIZ
Human 14-3-3 sigma in complex with human Estrogen Receptor alpha peptide and ligands Fusicoccin-A and WR-1065
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 170 |
Detector technology | PIXEL |
Collection date | 2020-12-08 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9999 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 84.208, 110.938, 62.589 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 67.070 - 1.480 |
R-factor | 0.2122 |
Rwork | 0.211 |
R-free | 0.23940 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 4jdd |
RMSD bond length | 0.008 |
RMSD bond angle | 0.880 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | BUSTER (2.10.3) |
Refinement software | BUSTER (2.10.3) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 67.074 | 1.642 |
High resolution limit [Å] | 1.480 | 1.480 |
Rmerge | 0.499 | 5.126 |
Rmeas | 0.520 | 5.331 |
Rpim | 0.144 | 1.450 |
Number of reflections | 33462 | 21528 |
<I/σ(I)> | 7.3 | 1.7 |
Completeness [%] | 68.0 | 12.8 |
Redundancy | 12.9 | 12.9 |
CC(1/2) | 0.983 | 0.131 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 5 %Glycerol, 0.19 M Calciumchloridedihydrate, 29% PEG 400, 0.0406 M HEPES pH 7.0, 0.0544 M HEPES pH 7.6 |