8GK5
EGFR(T790M/V948R) kinase in complex with osimertinib and 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 | 2019-04-10 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97890 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 170.569, 73.057, 119.105 |
Unit cell angles | 90.00, 118.84, 90.00 |
Refinement procedure
Resolution | 65.630 - 2.300 |
R-factor | 0.2239 |
Rwork | 0.222 |
R-free | 0.25150 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 0.760 |
Data reduction software | DIALS |
Data scaling software | xia2 |
Phasing software | PHASER |
Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 65.630 | 2.340 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.111 | 0.760 |
Rmeas | 0.135 | 0.943 |
Rpim | 0.077 | 0.549 |
Total number of observations | 7846 | |
Number of reflections | 101280 | 2725 |
<I/σ(I)> | 8.2 | 1.1 |
Completeness [%] | 96.5 | |
Redundancy | 2.9 | 2.9 |
CC(1/2) | 0.989 | 0.199 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.7 | 293 | 0.1 M Bis-Tris pH 5.7, 30% (w/v) PEG 3350 |