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 |