6BMY
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitors SHP099 and SHP844
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 | 2017-06-14 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 46.050, 213.710, 55.980 |
Unit cell angles | 90.00, 96.71, 90.00 |
Refinement procedure
Resolution | 106.850 - 2.090 |
R-factor | 0.182 |
Rwork | 0.180 |
R-free | 0.22800 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 6bmr |
RMSD bond length | 0.010 |
RMSD bond angle | 1.060 |
Data reduction software | XDS |
Data scaling software | autoPROC |
Phasing software | BUSTER |
Refinement software | BUSTER (2.11.7) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 213.709 | 2.092 |
High resolution limit [Å] | 2.085 | 2.085 |
Rmerge | 0.079 | 0.568 |
Number of reflections | 59793 | 453 |
<I/σ(I)> | 10.4 | 3.3 |
Completeness [%] | 94.0 | 67.2 |
Redundancy | 3.4 | 3.3 |
CC(1/2) | 0.997 | 0.804 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 17% PEG3350, 200MM AMMONIUM PHOSPHATE |