8TO3
EGFR(T790M/V948R) in complex with LN5461
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 | 2021-07-21 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97927 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 56.999, 73.369, 150.591 |
Unit cell angles | 90.00, 99.60, 90.00 |
Refinement procedure
Resolution | 56.200 - 2.490 |
R-factor | 0.231 |
Rwork | 0.229 |
R-free | 0.26870 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6wxn |
RMSD bond length | 0.010 |
RMSD bond angle | 1.225 |
Data reduction software | DIALS |
Data scaling software | Aimless (0.7.7) |
Phasing software | PHASER |
Refinement software | PHENIX (1.19_4092) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 56.200 | 55.830 | 2.590 |
High resolution limit [Å] | 2.490 | 9.350 | 2.500 |
Rmerge | 0.191 | 0.040 | 1.348 |
Rmeas | 0.207 | 0.044 | 1.472 |
Rpim | 0.080 | 0.017 | 0.584 |
Total number of observations | 5822 | 28408 | |
Number of reflections | 42889 | 867 | 4473 |
<I/σ(I)> | 6.3 | 13.8 | 1.4 |
Completeness [%] | 100.0 | 99.5 | 99.9 |
Redundancy | 6.7 | 6.7 | 6.4 |
CC(1/2) | 0.986 | 0.991 | 0.669 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | Bis-Tris (100mM), 25% PEG-3350 and TCEP (5mM) |