5IBS
Structure of E76Q, a Cancer-Associated Mutation of the Oncogenic Phosphatase SHP2
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 | 2015-02-24 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 45.460, 214.770, 55.380 |
Unit cell angles | 90.00, 95.59, 90.00 |
Refinement procedure
Resolution | 23.390 - 2.320 |
R-factor | 0.1887 |
Rwork | 0.186 |
R-free | 0.23790 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 2shp |
RMSD bond length | 0.009 |
RMSD bond angle | 1.030 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | BUSTER |
Refinement software | BUSTER (2.11.5) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 107.400 | 2.324 |
High resolution limit [Å] | 2.316 | 2.316 |
Rmerge | 0.131 | 0.795 |
Number of reflections | 45260 | |
<I/σ(I)> | 7.9 | 2.1 |
Completeness [%] | 98.9 | 98 |
Redundancy | 3.4 | 3.5 |
CC(1/2) | 0.989 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 100 mM Tris, 20% PEG 3350 and 1 mM TCEP |