8F1H
EGFR kinase in complex with TAS6417 (CLN-081)
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 | I 2 3 |
Unit cell lengths | 146.317, 146.317, 146.317 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.270 - 2.800 |
R-factor | 0.1859 |
Rwork | 0.184 |
R-free | 0.21220 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2gs2 |
RMSD bond length | 0.005 |
RMSD bond angle | 0.655 |
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] | 46.270 | 2.850 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.130 | 0.803 |
Rmeas | 0.145 | 0.891 |
Rpim | 0.063 | 0.381 |
Total number of observations | 66621 | 3456 |
Number of reflections | 12960 | 649 |
<I/σ(I)> | 10.2 | 1.3 |
Completeness [%] | 99.6 | |
Redundancy | 5.1 | 5.3 |
CC(1/2) | 0.994 | 0.687 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.1 M MES pH=6.5, 1.1 M Sodium Citrate |