9GI9
Wildtype EGFR bound with (R)-3-((3-chloro-2-methoxyphenyl)amino)-2-(3-((tetrahydrofuran-2-yl)methoxy)pyridin-4-yl)-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one
This is a non-PDB format compatible entry.
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 | 2020-09-23 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 1.000038 |
| Spacegroup name | I 2 3 |
| Unit cell lengths | 147.845, 147.845, 147.845 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 73.923 - 3.120 |
| R-factor | 0.1921 |
| Rwork | 0.189 |
| R-free | 0.24820 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.414 |
| Data reduction software | PROCOR |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 73.923 | 3.237 |
| High resolution limit [Å] | 3.120 | 3.122 |
| Rmerge | 0.276 | 3.489 |
| Number of reflections | 9052 | 446 |
| <I/σ(I)> | 13.3 | 1.4 |
| Completeness [%] | 93.4 | 47.1 |
| Redundancy | 25.1 | 26.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | sodium tartrate, sodium acetate, ammonium chloride |
