7K1H
EGFR L858R/V948R in complex with osimertinib and allosteric inhibitor JBJ-09-063
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] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-12-05 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 1 |
| Unit cell lengths | 66.848, 88.336, 93.841 |
| Unit cell angles | 118.25, 87.05, 106.71 |
Refinement procedure
| Resolution | 46.690 - 2.602 |
| R-factor | 0.2327 |
| Rwork | 0.231 |
| R-free | 0.27520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5d41 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.162 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 73.790 | 73.820 | 2.650 |
| High resolution limit [Å] | 2.600 | 7.060 | 2.600 |
| Rmeas | 0.190 | 0.067 | 1.211 |
| Rpim | 0.097 | 0.034 | 0.617 |
| Total number of observations | 9626 | 8587 | |
| Number of reflections | 102625 | 2579 | 2266 |
| <I/σ(I)> | 5.6 | 11.5 | 1.5 |
| Completeness [%] | 93.8 | 94.5 | 83.3 |
| Redundancy | 3.8 | 3.7 | 3.8 |
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 |
