8EME
EGFR(T790M/V948R) in complex with ZNL-0056
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 | 2020-02-14 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 34.874, 99.992, 87.023 |
| Unit cell angles | 90.00, 100.80, 90.00 |
Refinement procedure
| Resolution | 50.000 - 3.320 |
| R-factor | 0.2852 |
| Rwork | 0.283 |
| R-free | 0.31840 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6duk |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 64.970 | 64.990 | 3.380 |
| High resolution limit [Å] | 3.320 | 9.000 | 3.320 |
| Rmeas | 0.346 | 0.086 | 1.663 |
| Rpim | 0.175 | 0.043 | 0.832 |
| Total number of observations | 33246 | 1654 | 1654 |
| Number of reflections | 8682 | 448 | 425 |
| <I/σ(I)> | 3.6 | 16.4 | 0.7 |
| Completeness [%] | 99.3 | 99.1 | 99.5 |
| Redundancy | 3.8 | 3.7 | 3.9 |
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 |
