7JXP
EGFR kinase (T790M/V948R) in complex with osimertinib and JBJ-04-125-02
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-07-15 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97930 |
| Spacegroup name | P 1 |
| Unit cell lengths | 57.113, 94.741, 95.569 |
| Unit cell angles | 70.56, 78.40, 79.18 |
Refinement procedure
| Resolution | 89.110 - 2.160 |
| R-factor | 0.2139 |
| Rwork | 0.212 |
| R-free | 0.24730 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5d41 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 89.110 | 89.180 | 2.200 |
| High resolution limit [Å] | 2.160 | 5.860 | 2.160 |
| Rmeas | 0.128 | 0.068 | 1.428 |
| Rpim | 0.066 | 0.035 | 0.770 |
| Total number of observations | 295266 | 16726 | 6785 |
| Number of reflections | 81966 | 4437 | 2163 |
| <I/σ(I)> | 6.2 | 13.1 | 1.1 |
| Completeness [%] | 83.3 | 90.3 | 43.4 |
| Redundancy | 3.6 | 3.8 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 0.1 M Bis-Tris pH 5.5, 28% (w/v) PEG 3350 |
