6FI5
Crystal structure of C-terminal modified Tau peptide-hybrid 3.2d with 14-3-3sigma
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, DESY BEAMLINE P11 |
Synchrotron site | PETRA III, DESY |
Beamline | P11 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-08-04 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 1.033200 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 81.928, 112.209, 62.360 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.380 - 1.700 |
R-factor | 0.1886 |
Rwork | 0.187 |
R-free | 0.22680 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5hf3 |
RMSD bond length | 0.004 |
RMSD bond angle | 0.607 |
Data reduction software | MOSFLM |
Data scaling software | Aimless (0.5.32) |
Phasing software | PHASER (2.8.0) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 45.380 | 45.380 | 1.730 |
High resolution limit [Å] | 1.700 | 9.000 | 1.700 |
Rmerge | 0.225 | 0.057 | 1.903 |
Rmeas | 0.236 | 0.060 | 2.000 |
Rpim | 0.070 | 0.017 | 0.607 |
Number of reflections | 31995 | 260 | 1661 |
<I/σ(I)> | 8.4 | ||
Completeness [%] | 100.0 | 99.5 | 100 |
Redundancy | 11.1 | 11 | 10.6 |
CC(1/2) | 0.995 | 0.997 | 0.428 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 25% PEG400, 20 mM HEPES, pH 7.1, 5% glycerol, 0.19 M CaCl2 |