6SLW
Fragment AZ-004 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 | 2016-09-27 |
Detector | DECTRIS PILATUS 200K |
Wavelength(s) | 1.541870 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 82.001, 112.204, 62.864 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.030 - 2.000 |
R-factor | 0.184391893594 |
Rwork | 0.183 |
R-free | 0.21537 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3mhr |
RMSD bond length | 0.010 |
RMSD bond angle | 1.018 |
Data reduction software | DIALS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 34.030 | 2.072 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.047 | 0.121 |
Rmeas | 0.066 | 0.171 |
Number of reflections | 19958 | 1949 |
<I/σ(I)> | 11.54 | 3.85 |
Completeness [%] | 99.8 | 99.24 |
Redundancy | 2 | 2 |
CC(1/2) | 0.997 | 0.954 |
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 |