6V5N
EGFR(T790M/V948R) in complex with LN2084
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 | 2018-07-18 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.97918 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 71.100, 102.120, 87.380 |
Unit cell angles | 90.00, 102.55, 90.00 |
Refinement procedure
Resolution | 52.160 - 2.400 |
R-factor | 0.194 |
Rwork | 0.192 |
R-free | 0.24350 |
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] | 52.160 | 52.160 | 2.460 |
High resolution limit [Å] | 2.400 | 10.730 | 2.400 |
Rmerge | 0.122 | 0.034 | 0.790 |
Rmeas | 0.132 | 0.037 | 0.866 |
Rpim | 0.050 | 0.014 | 0.350 |
Total number of observations | 323558 | 3786 | 20023 |
Number of reflections | 47153 | 561 | 3432 |
<I/σ(I)> | 12.7 | 37.3 | 2 |
Completeness [%] | 98.8 | 98.6 | 97.6 |
Redundancy | 6.9 | 6.7 | 5.8 |
CC(1/2) | 0.997 | 0.999 | 0.768 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | 0.1 M Bis-Tris, 25% PEG3350 |