9VOY
EGFR T790M/L858R mutant in complex with covalent inhibitor TAS6417
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-10-04 |
| Detector | DECTRIS EIGER2 X CdTe 16M |
| Wavelength(s) | 0.8856 |
| Spacegroup name | I 2 3 |
| Unit cell lengths | 145.915, 145.915, 145.915 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 103.180 - 2.670 |
| R-factor | 0.19944 |
| Rwork | 0.197 |
| R-free | 0.23935 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.286 |
| Data reduction software | autoPROC |
| Data scaling software | autoPROC ((Version 1.1.7)) |
| Refinement software | REFMAC (5.8.0430) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 103.180 | 2.720 |
| High resolution limit [Å] | 2.670 | 2.674 |
| Rmerge | 0.284 | 3.350 |
| Number of reflections | 14735 | 751 |
| <I/σ(I)> | 12.2 | 1.3 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 41.3 | 37.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 8.0% v/v ethylene glycol; 0.1M HEPES pH 7.25; 10% w/v PEG 10K |
