6GHP
14-3-3sigma in complex with a TASK3 peptide stabilized by semi-synthetic natural product FC-NAc
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-003 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-09-26 |
Detector | DECTRIS PILATUS 200K |
Wavelength(s) | 1.541870 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 82.453, 111.473, 63.675 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.606 - 1.950 |
R-factor | 0.1835 |
Rwork | 0.181 |
R-free | 0.23110 |
Structure solution method | MOLECULAR REPLACEMENT |
Data reduction software | MOSFLM |
Data scaling software | Aimless (0.6.2) |
Phasing software | PHASER (2.8.1) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 45.920 | 45.920 | 2.000 |
High resolution limit [Å] | 1.950 | 8.940 | 1.950 |
Rmerge | 0.129 | 0.025 | 0.984 |
Rmeas | 0.140 | 0.028 | 1.064 |
Rpim | 0.053 | 0.012 | 0.400 |
Total number of observations | 141126 | 1193 | 9395 |
Number of reflections | 21097 | 249 | 1364 |
<I/σ(I)> | 12.5 | 42 | 2 |
Completeness [%] | 97.0 | 93.5 | 89.6 |
Redundancy | 6.7 | 4.8 | 6.9 |
CC(1/2) | 0.997 | 0.999 | 0.756 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.1 | 278 | 0.095 M HEPES, pH 7.1, 26% v/v PEG400, 0.19 M CaCl2, 5% v/v glycerol |