7JXW
EGFR kinase (T790M/V948R) in complex with osimertinib and JBJ-09-063
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 | 2018-11-10 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9792 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 170.248, 73.059, 119.068 |
| Unit cell angles | 90.00, 118.57, 90.00 |
Refinement procedure
| Resolution | 65.640 - 2.500 |
| R-factor | 0.276 |
| Rwork | 0.274 |
| R-free | 0.31850 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5d41 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 65.640 | 65.660 | 2.540 |
| High resolution limit [Å] | 2.500 | 6.780 | 2.500 |
| Rmeas | 0.294 | 0.114 | 2.092 |
| Rpim | 0.112 | 0.045 | 0.795 |
| Total number of observations | 301319 | 14959 | 14474 |
| Number of reflections | 44233 | 2306 | 2187 |
| <I/σ(I)> | 4.5 | 14.4 | 0.6 |
| Completeness [%] | 98.9 | 98.6 | 99.3 |
| Redundancy | 6.8 | 6.5 | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.7 | 293 | 0.1 M Bis-Tris pH 5.7, 28% (w/v) PEG 3350 |
