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 |