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) |
