8TO4
EGFR(T790M/V948R) in complex with the allosteric inhibitor FRF-06-057
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS-II BEAMLINE 17-ID-2 |
Synchrotron site | NSLS-II |
Beamline | 17-ID-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-08-05 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97933 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 72.346, 103.109, 86.867 |
Unit cell angles | 90.00, 101.24, 90.00 |
Refinement procedure
Resolution | 70.960 - 2.990 |
R-factor | 0.1759 |
Rwork | 0.171 |
R-free | 0.23100 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.019 |
RMSD bond angle | 1.425 |
Data reduction software | xia2 |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.19_4092) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 70.960 | 3.180 |
High resolution limit [Å] | 2.990 | 3.000 |
Rmerge | 0.203 | 0.670 |
Rmeas | 0.243 | 0.806 |
Rpim | 0.132 | 0.443 |
Total number of observations | 12858 | |
Number of reflections | 25232 | 4006 |
<I/σ(I)> | 4.6 | 1.9 |
Completeness [%] | 99.8 | |
Redundancy | 3.3 | 3.2 |
CC(1/2) | 0.925 | 0.548 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | 25% PEG-3350, Bis-Tris 0.1 M |