7U98
EGFR(T790M/V948R) in complex with a macrocyclic 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 | 2021-07-23 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 71.353, 100.923, 88.309 |
| Unit cell angles | 90.00, 102.17, 90.00 |
Refinement procedure
| Resolution | 86.320 - 3.420 |
| R-factor | 0.2162 |
| Rwork | 0.215 |
| R-free | 0.24410 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6duk |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 86.320 | 86.350 | 3.470 |
| High resolution limit [Å] | 3.410 | 9.260 | 3.410 |
| Rmeas | 0.204 | 0.080 | 0.676 |
| Rpim | 0.109 | 0.043 | 0.361 |
| Total number of observations | 55699 | 2774 | 2423 |
| Number of reflections | 16531 | 863 | 748 |
| <I/σ(I)> | 4.5 | 17.3 | 0.8 |
| Completeness [%] | 98.4 | 98.2 | 90.1 |
| Redundancy | 3.4 | 3.2 | 3.2 |
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 |
