8U7W
Crystal structure of non-receptor protein tyrosine phosphatase SHP2 in complex with inhibitor compound 7
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-08-21 |
| Detector | DECTRIS EIGER R 1M |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.510, 212.890, 55.640 |
| Unit cell angles | 90.00, 95.92, 90.00 |
Refinement procedure
| Resolution | 29.870 - 2.050 |
| R-factor | 0.1692 |
| Rwork | 0.169 |
| R-free | 0.17800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.915 |
| 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 | 2.160 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmeas | 0.084 | 0.255 |
| Rpim | 0.032 | 0.108 |
| Number of reflections | 62584 | 8718 |
| <I/σ(I)> | 15.6 | 6.4 |
| Completeness [%] | 95.4 | 91.3 |
| Redundancy | 6.5 | 5.3 |
| CC(1/2) | 0.996 | 0.958 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9.2 | 293 | 17% PEG3350, 0.1M Bicine, pH9.2, 30 mM Ammonium Acetate, 4% Tacsimate |
