8PO0
Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 12 bound to EGFRinsNPG
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-10-27 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.99 |
| Spacegroup name | I 2 3 |
| Unit cell lengths | 150.769, 150.769, 150.769 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.680 - 2.523 |
| R-factor | 0.3182 |
| Rwork | 0.315 |
| R-free | 0.37550 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.030 |
| Data reduction software | autoPROC |
| Data scaling software | autoPROC |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.8 (24-FEB-2021)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.680 | 1.000 |
| High resolution limit [Å] | 1.000 | 1.000 |
| Number of reflections | 19264 | 1 |
| <I/σ(I)> | 1 | |
| Completeness [%] | 100.0 | |
| Redundancy | 1 | |
| CC(1/2) | 1.000 | 0.500 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | Sodium Citrate |
