9C55
Crystal structure of human PTPN2 in complex with active site 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 | 2022-04-01 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 1.0000 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 83.392, 223.052, 36.585 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.700 - 2.360 |
R-factor | 0.2005 |
Rwork | 0.199 |
R-free | 0.23390 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.548 |
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] | 78.110 | 2.490 |
High resolution limit [Å] | 2.360 | 2.360 |
Rmeas | 0.111 | 0.815 |
Rpim | 0.044 | 0.321 |
Number of reflections | 14667 | 2106 |
<I/σ(I)> | 12.7 | 2.4 |
Completeness [%] | 100.0 | |
Redundancy | 6.5 | |
CC(1/2) | 0.998 | 0.873 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 100mM MES/imidazole pH6.5, 7% w/v Peg 8000, 14% v/v ethylene glycol, 30mM sodium l-glutamate, 30mM dl-alanine, 30mM glycine, 30mM dl-lysine HCl, 30mM dl-serine |