7LTX
EGFR (T790M/V948R) in complex with quinazolinone allosteric inhibitor
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 | 2019-07-13 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97930 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 56.888, 73.488, 150.217 |
Unit cell angles | 90.00, 99.63, 90.00 |
Refinement procedure
Resolution | 148.100 - 2.300 |
R-factor | 0.1874 |
Rwork | 0.186 |
R-free | 0.21600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6duk |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.1_4122) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 148.100 | 148.410 | 2.340 |
High resolution limit [Å] | 2.300 | 6.240 | 2.300 |
Rmeas | 0.132 | 0.053 | 1.184 |
Rpim | 0.051 | 0.021 | 0.460 |
Total number of observations | 358220 | 18912 | 17939 |
Number of reflections | 53925 | 2803 | 2699 |
<I/σ(I)> | 8.5 | 31.7 | 0.9 |
Completeness [%] | 98.9 | 99.1 | 99.7 |
Redundancy | 6.6 | 6.7 | 6.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 0.1 M Bis-Tris pH 5.5, 30% (w/v) PEG 3350 |