5IBM
Structure of S502P, 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) | 1.0000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 45.190, 214.240, 55.470 |
Unit cell angles | 90.00, 95.55, 90.00 |
Refinement procedure
Resolution | 43.600 - 2.180 |
R-factor | 0.1917 |
Rwork | 0.189 |
R-free | 0.23970 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 2shp |
RMSD bond length | 0.010 |
RMSD bond angle | 1.090 |
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] | 107.130 | 2.188 |
High resolution limit [Å] | 2.160 | 2.181 |
Rmerge | 0.086 | 0.730 |
Number of reflections | 53974 | |
<I/σ(I)> | 9.7 | 2.1 |
Completeness [%] | 99.2 | 99.7 |
Redundancy | 3.4 | 3.4 |
CC(1/2) | 0.997 |
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 |