9BLG
Crystal structure of non-receptor protein tyrosine phosphatase SHP2 in complex with PF-07284892
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-03-14 |
Detector | DECTRIS PILATUS3 R 1M |
Wavelength(s) | 1.54 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 45.270, 214.270, 55.810 |
Unit cell angles | 90.00, 96.06, 90.00 |
Refinement procedure
Resolution | 28.270 - 2.060 |
R-factor | 0.1901 |
Rwork | 0.188 |
R-free | 0.23810 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.489 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.1_4122) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 28.270 | 2.140 |
High resolution limit [Å] | 2.060 | 2.060 |
Rmeas | 0.077 | 0.244 |
Rpim | 0.029 | 0.097 |
Number of reflections | 61141 | 8644 |
<I/σ(I)> | 17.6 | 7.2 |
Completeness [%] | 94.3 | |
Redundancy | 6.9 | |
CC(1/2) | 0.998 | 0.973 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9.2 | 293 | 9%PEG3350, 0.1M Bicine, pH9.2, 30mM Ammonium Acetate, 5% Tacsimate |