8U7X
Crystal structure of non-receptor protein tyrosine phosphatase SHP2 in complex with inhibitor compound 24
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-11-30 |
| Detector | DECTRIS EIGER R 1M |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.440, 213.200, 55.770 |
| Unit cell angles | 90.00, 96.36, 90.00 |
Refinement procedure
| Resolution | 27.710 - 2.060 |
| R-factor | 0.1686 |
| Rwork | 0.168 |
| R-free | 0.17520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.523 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.170 |
| High resolution limit [Å] | 2.060 | 2.060 |
| Rmeas | 0.105 | 0.324 |
| Rpim | 0.041 | 0.141 |
| Number of reflections | 63072 | 9094 |
| <I/σ(I)> | 12 | 4.9 |
| Completeness [%] | 97.6 | 96.4 |
| Redundancy | 6.3 | 5.2 |
| CC(1/2) | 0.996 | 0.920 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.6 | 293 | 13% PEG3350, 0.1M Bicine, pH7.6, 30mM Ammonium Acetate, 5% Tacsimate |
