9EWT
Optimisation of Potent, Efficacious, Selective and Blood-Brain Barrier Penetrating Inhibitors Targeting EGFR Exon20 Insertion Mutations
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-07-22 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97950 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 83.421, 99.845, 85.196 |
| Unit cell angles | 90.00, 114.08, 90.00 |
Refinement procedure
| Resolution | 49.920 - 3.019 |
| R-factor | 0.2376 |
| Rwork | 0.232 |
| R-free | 0.34150 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.880 |
| Data reduction software | autoPROC |
| Data scaling software | STARANISO |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.8 (26-JUL-2023)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 77.780 | 3.286 |
| High resolution limit [Å] | 3.019 | 3.019 |
| Number of reflections | 8460 | 423 |
| <I/σ(I)> | 6.1 | |
| Completeness [%] | 86.1 | |
| Redundancy | 3.4 | |
| CC(1/2) | 0.996 | 0.512 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | PEG 8K 20%w/v, MPD 5%v/v, PCPT 0.1M pH 7.5 |
