7T4J
Crystal Structure of EGFR_D770_N771insNPG/V948R in complex with TAK-788
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-06-27 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9774 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 58.121, 85.531, 127.854 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.120 - 2.200 |
| R-factor | 0.2271 |
| Rwork | 0.224 |
| R-free | 0.27750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7lgs |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.515 |
| 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] | 48.120 | 48.070 | 2.270 |
| High resolution limit [Å] | 2.200 | 9.070 | 2.200 |
| Rmerge | 0.100 | 0.025 | 3.074 |
| Rmeas | 0.108 | 0.028 | 3.313 |
| Rpim | 0.040 | 0.011 | 1.222 |
| Total number of observations | 3338 | 20277 | |
| Number of reflections | 33163 | 559 | 2824 |
| <I/σ(I)> | 12 | 58.3 | 0.7 |
| Completeness [%] | 100.0 | 99.5 | 100 |
| Redundancy | 7.3 | 6 | 7.2 |
| CC(1/2) | 0.999 | 1.000 | 0.504 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 20% PEG 8000, 200mM Ammonium Citrate, 100mM MES pH 6.5 |
