6BMV
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor SHP504
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 | 2015-06-08 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 46.420, 216.880, 55.860 |
Unit cell angles | 90.00, 97.30, 90.00 |
Refinement procedure
Resolution | 108.440 - 2.053 |
R-factor | 0.177 |
Rwork | 0.174 |
R-free | 0.22300 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 6bmr |
RMSD bond length | 0.010 |
RMSD bond angle | 1.050 |
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] | 216.879 | 2.060 |
High resolution limit [Å] | 2.053 | 2.053 |
Rmerge | 0.075 | 0.752 |
Number of reflections | 66612 | 708 |
<I/σ(I)> | 12.2 | |
Completeness [%] | 97.9 | 99.3 |
Redundancy | 3.4 | 3.3 |
CC(1/2) | 0.998 | 0.683 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 17% PEG3350, 200MM AMMONIUM PHOSPHATE |