6BMX
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor 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 | 2015-10-21 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 46.130, 214.996, 56.040 |
Unit cell angles | 90.00, 96.59, 90.00 |
Refinement procedure
Resolution | 55.670 - 2.424 |
R-factor | 0.171 |
Rwork | 0.167 |
R-free | 0.25200 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 6bmr |
RMSD bond length | 0.010 |
RMSD bond angle | 1.150 |
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] | 55.670 | 2.432 |
High resolution limit [Å] | 2.424 | 2.424 |
Rmerge | 0.122 | 0.751 |
Number of reflections | 40789 | 431 |
<I/σ(I)> | 10 | 2 |
Completeness [%] | 99.7 | 100 |
Redundancy | 3.4 | 3.2 |
CC(1/2) | 0.993 | 0.665 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 17% PEG3350, 200MM AMMONIUM PHOSPHATE |