8GB4
EGFR(T790M/V948R) kinase in complex with benzimidazole allosteric inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-03-26 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97920 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 169.450, 73.450, 118.419 |
| Unit cell angles | 90.00, 118.45, 90.00 |
Refinement procedure
| Resolution | 104.110 - 2.590 |
| R-factor | 0.2303 |
| Rwork | 0.229 |
| R-free | 0.25350 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.668 |
| Data reduction software | DIALS |
| Data scaling software | DIALS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 104.110 | 2.640 |
| High resolution limit [Å] | 2.590 | 2.590 |
| Rmerge | 0.160 | 0.947 |
| Rmeas | 0.186 | 1.110 |
| Rpim | 0.094 | 0.568 |
| Total number of observations | 145559 | 6539 |
| Number of reflections | 39094 | 1847 |
| <I/σ(I)> | 6.1 | 0.7 |
| Completeness [%] | 98.0 | |
| Redundancy | 3.7 | 3.5 |
| CC(1/2) | 0.993 | 0.516 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 0.1 M Bis-Tris pH 5.5, 30% (w/v) PEG 3350 |
