7JXI
EGFR kinase (T790M/V948R) in complex with PF-06747775
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 | 2019-12-10 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97780 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 70.630, 100.778, 87.155 |
| Unit cell angles | 90.00, 101.17, 90.00 |
Refinement procedure
| Resolution | 85.500 - 3.000 |
| R-factor | 0.2782 |
| Rwork | 0.276 |
| R-free | 0.31210 |
| 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] | 100.780 | 100.830 | 3.050 |
| High resolution limit [Å] | 3.000 | 8.140 | 3.000 |
| Rmeas | 0.263 | 0.088 | 1.395 |
| Rpim | 0.102 | 0.033 | 0.580 |
| Total number of observations | 154096 | 8108 | 6357 |
| Number of reflections | 23783 | 1243 | 1166 |
| <I/σ(I)> | 5.5 | 20.2 | 0.9 |
| Completeness [%] | 98.6 | 99 | 96.4 |
| Redundancy | 6.5 | 6.5 | 5.5 |
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 |
