8F1W
EGFR(T790M/V948R) kinase in complex with poziotinib
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 | 2019-06-23 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97910 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 70.790, 102.534, 87.328 |
| Unit cell angles | 90.00, 102.31, 90.00 |
Refinement procedure
| Resolution | 85.320 - 3.200 |
| R-factor | 0.2332 |
| Rwork | 0.231 |
| R-free | 0.27410 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6duk |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.562 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 102.530 | 3.250 |
| High resolution limit [Å] | 3.200 | 3.200 |
| Rmerge | 0.215 | 0.573 |
| Rmeas | 0.261 | 0.693 |
| Rpim | 0.145 | 0.386 |
| Total number of observations | 60222 | 2968 |
| Number of reflections | 19840 | 969 |
| <I/σ(I)> | 3.3 | 0.8 |
| Completeness [%] | 97.9 | |
| Redundancy | 3 | 3.1 |
| CC(1/2) | 0.959 | 0.855 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.7 | 293 | 0.1 M Bis-Tris pH 5.7, 25-30% (w/v) PEG 3350 |
