7JXQ
EGFR kinase (T790M/V948R) in complex with allosteric inhibitor 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 | P 1 21 1 |
| Unit cell lengths | 57.318, 74.598, 150.569 |
| Unit cell angles | 90.00, 98.69, 90.00 |
Refinement procedure
| Resolution | 66.690 - 1.830 |
| R-factor | 0.1846 |
| Rwork | 0.184 |
| R-free | 0.21800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5d41 |
| Data reduction software | xia2 |
| Data scaling software | Aimless (0.7.3) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 66.690 | 66.690 | 1.880 |
| High resolution limit [Å] | 1.830 | 8.180 | 1.830 |
| Rmerge | 0.095 | 0.028 | 1.794 |
| Rmeas | 0.102 | 0.031 | 1.935 |
| Rpim | 0.038 | 0.012 | 0.717 |
| Total number of observations | 9157 | 58027 | |
| Number of reflections | 215143 | 1312 | 8116 |
| <I/σ(I)> | 9.3 | 31.8 | 0.9 |
| Completeness [%] | 99.5 | 99.9 | 99.6 |
| Redundancy | 7 | 7 | 7.1 |
| CC(1/2) | 0.999 | 0.999 | 0.513 |
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 |
