8A27
EGFR kinase domain in complex with 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[6-[2-[4-[[4-(hydroxymethyl)-1-piperidyl]methyl]phenyl]ethynyl]-1-oxo-4-(trifluoromethyl)isoindolin-2-yl]-N-thiazol-2-yl-acetamide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-09-02 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9999 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 119.280, 34.915, 84.334 |
| Unit cell angles | 90.00, 128.92, 90.00 |
Refinement procedure
| Resolution | 65.610 - 1.070 |
| R-factor | 0.1262 |
| Rwork | 0.124 |
| R-free | 0.15990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5hg8 |
| RMSD bond length | 0.018 |
| RMSD bond angle | 2.082 |
| Data reduction software | XDS |
| Data scaling software | STARANISO |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 65.610 | 1.160 |
| High resolution limit [Å] | 1.070 | 1.070 |
| Number of reflections | 86262 | 4541 |
| <I/σ(I)> | 13.1 | |
| Completeness [%] | 92.5 | |
| Redundancy | 5 | |
| CC(1/2) | 1.000 | 0.660 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | 20% PEG Smear Medium, 0.1M MES, 0.15 ammonium nitrate, 5% ethylene glycol |
