7LGS
Structure of EGFR_D770_N771insNPG/V948R in complex with covalent inhibitor Osimertinib.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.3 |
| Synchrotron site | ALS |
| Beamline | 5.0.3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2019-05-08 |
| Detector | ADSC QUANTUM 4r |
| Wavelength(s) | 0.987 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 60.659, 132.100, 85.805 |
| Unit cell angles | 90.00, 91.40, 90.00 |
Refinement procedure
| Resolution | 49.010 - 3.100 |
| R-factor | 0.241 |
| Rwork | 0.238 |
| R-free | 0.30530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4lrm |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.892 |
| Data reduction software | DENZO |
| Data scaling software | Aimless (0.7.3) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 49.010 | 46.920 | 3.120 |
| High resolution limit [Å] | 2.940 | 8.820 | 2.940 |
| Rmerge | 0.269 | 0.045 | 2.073 |
| Rmeas | 0.313 | 0.052 | 2.412 |
| Rpim | 0.160 | 0.027 | 1.227 |
| Total number of observations | 4000 | 17566 | |
| Number of reflections | 28583 | 1091 | 4592 |
| <I/σ(I)> | 4 | 16.2 | 0.8 |
| Completeness [%] | 99.3 | 98.7 | 99.1 |
| Redundancy | 3.8 | 3.7 | 3.8 |
| CC(1/2) | 0.989 | 0.998 | 0.409 |
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 |
