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 |
