6P1D
Crystal structure of EGFR with mutant-selective dihydrodibenzodiazepinone allosteric inhibitor
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 | 2018-04-17 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 71.946, 101.812, 86.510 |
| Unit cell angles | 90.00, 101.04, 90.00 |
Refinement procedure
| Resolution | 65.170 - 2.400 |
| R-factor | 0.1954 |
| Rwork | 0.195 |
| R-free | 0.21340 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5d41 |
| Data reduction software | DIALS |
| Data scaling software | Aimless (0.6.3) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 65.170 | 2.460 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.100 | 0.358 |
| Rmeas | 0.118 | 0.426 |
| Rpim | 0.062 | 0.229 |
| Total number of observations | 167295 | 11646 |
| Number of reflections | 47635 | 3483 |
| <I/σ(I)> | 7.8 | 2.7 |
| Completeness [%] | 99.5 | 99.2 |
| Redundancy | 3.5 | 3.3 |
| CC(1/2) | 0.993 | 0.880 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | 0.1 M Bis-Tris, 29% PEG 3350, 5.0 mM TCEP |
