9C56
Crystal structure of human PTPN2 in complex with allosteric inhibitor
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 | 2022-07-22 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 1.0000 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 83.549, 225.084, 36.602 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.770 - 2.430 |
R-factor | 0.201 |
Rwork | 0.199 |
R-free | 0.24610 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.434 |
Data reduction software | autoPROC |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 78.330 | 2.560 |
High resolution limit [Å] | 2.430 | 2.430 |
Rmeas | 0.150 | |
Rpim | 0.057 | 0.437 |
Number of reflections | 13560 | 1928 |
<I/σ(I)> | 13.5 | 2.6 |
Completeness [%] | 100.0 | |
Redundancy | 13 | |
CC(1/2) | 0.997 | 0.862 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 100mM MES/imidazole pH6.5, 8% w/v PEG 8000, 16% v/v ethylene glycol, 35mM sodium l-glutamate, 35mM dl-alanine, 35mM glycine, 35mM dl-lysine HCl, 35mM dl-serine |