6MD7
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor Pyrimidinone 7
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 | 2015-03-04 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 46.050, 213.590, 55.910 |
Unit cell angles | 90.00, 96.51, 90.00 |
Refinement procedure
Resolution | 19.590 - 1.960 |
Rwork | 0.170 |
R-free | 0.20900 |
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] | 213.590 | 1.970 |
High resolution limit [Å] | 1.960 | 1.960 |
Rmerge | 0.078 | 0.715 |
Number of reflections | 75358 | |
<I/σ(I)> | 11.3 | 2.1 |
Completeness [%] | 98.3 | 98.6 |
Redundancy | 3.3 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 17% PEG3350, 200MM AMMONIUM PHOSPHATE |