6MDA
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor Pyrazolo-pyridine 4
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-05-31 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 46.630, 213.290, 56.000 |
Unit cell angles | 90.00, 96.86, 90.00 |
Refinement procedure
Resolution | 43.800 - 2.210 |
Rwork | 0.188 |
R-free | 0.25100 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 2shp |
Data reduction software | XDS |
Data scaling software | autoPROC |
Phasing software | BUSTER |
Refinement software | BUSTER |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 213.290 | 2.220 |
High resolution limit [Å] | 2.210 | 2.210 |
Rmerge | 0.092 | 0.527 |
Number of reflections | 50635 | |
<I/σ(I)> | 9.1 | 2.5 |
Completeness [%] | 94.1 | 90.5 |
Redundancy | 2.9 | 2.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 17% PEG3350, 200MM AMMONIUM PHOSPHATE |