6MD9
NON-RECEPTOR PROTEIN TYROSINE PHOSPHATASE SHP2 IN COMPLEX WITH ALLOSTERIC INHIBITOR Isoxazolo-pyridinone 3
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 | 46.340, 213.960, 55.830 |
Unit cell angles | 90.00, 96.69, 90.00 |
Refinement procedure
Resolution | 21.400 - 2.120 |
Rwork | 0.218 |
R-free | 0.27200 |
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] | 213.960 | 2.130 |
High resolution limit [Å] | 2.120 | 2.120 |
Rmerge | 0.104 | 0.561 |
Number of reflections | 60227 | |
<I/σ(I)> | 9.4 | 2.6 |
Completeness [%] | 99.5 | 99.7 |
Redundancy | 3.4 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 17% PEG3350, 200MM AMMONIUM PHOSPHATE |