7RCT
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor RMC-4550
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 93 |
Detector technology | PIXEL |
Collection date | 2019-06-12 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.979 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 45.790, 213.780, 55.850 |
Unit cell angles | 90.00, 96.83, 90.00 |
Refinement procedure
Resolution | 44.470 - 1.800 |
R-factor | 0.1854 |
Rwork | 0.184 |
R-free | 0.22520 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5ehr |
RMSD bond length | 0.006 |
RMSD bond angle | 0.779 |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX (1.19.1_4122+SVN) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.470 | 1.865 |
High resolution limit [Å] | 1.800 | 1.800 |
Number of reflections | 96389 | 9595 |
<I/σ(I)> | 10.87 | |
Completeness [%] | 98.3 | |
Redundancy | 3 | |
CC(1/2) | 0.999 | 0.422 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.1 M Sodium Chloride 0.1 M BIS-TRIS propane pH 8.5 11% PEG 1500 |