7T4I
Crystal Structure of wild type EGFR in complex with TAK-788
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-09-09 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.987 |
| Spacegroup name | I 2 3 |
| Unit cell lengths | 146.652, 146.652, 146.652 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.420 - 2.610 |
| R-factor | 0.1843 |
| Rwork | 0.181 |
| R-free | 0.23820 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3w33 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.171 |
| Data reduction software | HKL-2000 |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 46.420 | 46.380 | 2.730 |
| High resolution limit [Å] | 2.610 | 9.040 | 2.610 |
| Rmerge | 0.114 | 0.023 | 2.518 |
| Rmeas | 0.119 | 0.024 | 2.647 |
| Rpim | 0.036 | 0.008 | 0.811 |
| Total number of observations | 3868 | 20791 | |
| Number of reflections | 16117 | 419 | 1972 |
| <I/σ(I)> | 17.8 | 74.2 | 1.1 |
| Completeness [%] | 100.0 | 99 | 100 |
| Redundancy | 10.9 | 9.2 | 10.5 |
| CC(1/2) | 0.999 | 1.000 | 0.383 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1M Bis-tris pH 6.5, 0.2M lithium sulfate, 24% PEG 3350 |
