6V6O
EGFR(T790M/V948R) in complex with LN2380
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 | 2018-08-18 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.9792 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 71.550, 102.360, 173.569 |
Unit cell angles | 90.00, 101.30, 90.00 |
Refinement procedure
Resolution | 69.830 - 2.100 |
R-factor | 0.1963 |
Rwork | 0.195 |
R-free | 0.22060 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5d41 |
Data reduction software | xia2 |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 69.870 | 69.830 | 2.150 |
High resolution limit [Å] | 2.100 | 9.390 | 2.100 |
Rmerge | 0.115 | 0.069 | 0.629 |
Rmeas | 0.124 | 0.075 | 0.679 |
Rpim | 0.047 | 0.028 | 0.253 |
Total number of observations | 11844 | 72819 | |
Number of reflections | 141083 | 1686 | 10374 |
<I/σ(I)> | 11 | 20.7 | 3.9 |
Completeness [%] | 98.8 | 99.7 | 98.8 |
Redundancy | 7 | 7 | 7 |
CC(1/2) | 0.996 | 0.995 | 0.945 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | 0.1 M Bis-Tris, 25% PEG3350 |