6RP6
Fragment AZ-019 binding at the TAZpS89/14-3-3 sigma interface
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SEALED TUBE |
Source details | RIGAKU MICROMAX-003 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-08-02 |
Detector | DECTRIS PILATUS 200K |
Wavelength(s) | 1.54187 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 81.970, 112.020, 62.790 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.576 - 1.885 |
R-factor | 0.1598 |
Rwork | 0.157 |
R-free | 0.22010 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3mhr |
RMSD bond length | 0.010 |
RMSD bond angle | 0.953 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.860 | 1.640 |
High resolution limit [Å] | 1.620 | 1.620 |
Rmeas | 0.082 | 0.391 |
Number of reflections | 31371 | 111 |
<I/σ(I)> | 14 | 1.1 |
Completeness [%] | 83.4 | 6.1 |
Redundancy | 5.6 | 1.2 |
CC(1/2) | 0.998 | 0.862 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.1 | 277 | 0.095 M Na-HEPES pH 7.1, 27% PEG400, 0.19 M Calcium chloride, 5% Glycerol |