6V66
EGFR(T790M/V948R) in complex with LN2899
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-07-18 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.9791 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 71.480, 102.448, 87.422 |
| Unit cell angles | 90.00, 102.78, 90.00 |
Refinement procedure
| Resolution | 85.260 - 1.790 |
| R-factor | 0.1873 |
| Rwork | 0.185 |
| R-free | 0.22610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5d41 |
| Data reduction software | xia2 |
| Data scaling software | Aimless (0.7.2) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 102.520 | 102.520 | 1.840 |
| High resolution limit [Å] | 1.790 | 8.010 | 1.790 |
| Rmerge | 0.109 | 0.039 | 0.920 |
| Rmeas | 0.117 | 0.042 | 0.992 |
| Rpim | 0.044 | 0.016 | 0.369 |
| Total number of observations | 802493 | 9770 | 60218 |
| Number of reflections | 115206 | 1353 | 8503 |
| <I/σ(I)> | 9.6 | 29.7 | 1.9 |
| Completeness [%] | 99.7 | 100 | 100 |
| Redundancy | 7 | 7.2 | 7.1 |
| CC(1/2) | 0.998 | 0.999 | 0.570 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | 0.1 M Bis-Tris, 25% PEG3350 |
