7NFW
Human 14-3-3 sigma in complex with human Estrogen Receptor alpha peptide
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) | 0.999 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 82.007, 112.003, 62.511 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 66.160 - 1.190 |
R-factor | 0.2111 |
Rwork | 0.210 |
R-free | 0.22620 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 4jc3 |
RMSD bond length | 0.008 |
RMSD bond angle | 0.910 |
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] | 66.160 | 1.279 |
High resolution limit [Å] | 1.190 | 1.190 |
Rmerge | 0.260 | 3.413 |
Rmeas | 0.273 | 3.641 |
Rpim | 0.078 | 1.241 |
Number of reflections | 75691 | 3784 |
<I/σ(I)> | 10.2 | 1.7 |
Completeness [%] | 82.2 | 21.4 |
Redundancy | 11.9 | 8 |
CC(1/2) | 0.994 | 0.221 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277 | 5 % Glycerol, 27.4% PEG 400, 0.19 M Calciumchloridedihydrate, 0.0678 M HEPES, 0.0272 M HEPES |