9XU9
Crystal structure of EGFR T790M/C797S/L858R mutant in complex with (2-((5-chloro-2-((2-methoxy-4-(4-methylpiperazin-1-yl)-5-nitrophenyl)amino)pyrimidin-4-yl)amino)phenyl)dimethylphosphine oxide
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2025-06-24 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97861 |
| Spacegroup name | I 2 3 |
| Unit cell lengths | 145.440, 145.440, 145.440 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.280 - 2.840 |
| R-factor | 0.2348 |
| Rwork | 0.228 |
| R-free | 0.29390 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.271 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.281 | 6.114 |
| High resolution limit [Å] | 2.840 | 2.840 |
| Rmerge | 0.088 | |
| Number of reflections | 12099 | 12102 |
| <I/σ(I)> | 11.1 | |
| Completeness [%] | 98.9 | |
| Redundancy | 15.4 | |
| CC(1/2) | 0.998 | 0.998 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 289.15 | 1M sodium citrate, 0.1M CHES ph 9.0 |
