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 |