8KFQ
The crystal structure of EGFR(T797M/L858R) with small molecule inhibitor B6
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-11-30 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.97852 |
| Spacegroup name | I 2 3 |
| Unit cell lengths | 145.500, 145.500, 145.500 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.530 - 3.220 |
| R-factor | 0.2062 |
| Rwork | 0.200 |
| R-free | 0.26030 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ika |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.318 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.19_4092: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.700 | 3.310 |
| High resolution limit [Å] | 3.220 | 3.220 |
| Number of reflections | 8437 | 23665 |
| <I/σ(I)> | 10.1 | |
| Completeness [%] | 89.6 | |
| Redundancy | 20 | |
| CC(1/2) | 0.990 | 0.449 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M HEPES, pH 7.0, 10% (W/V) PEG10000, 10%(V/V) Ethylene glycol |
