6V6K
EGFR(T790M/V948R) in complex with LN2057
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 | 2019-06-11 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.97918 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 71.599, 102.455, 174.043 |
Unit cell angles | 90.00, 101.25, 90.00 |
Refinement procedure
Resolution | 85.350 - 2.200 |
R-factor | 0.2152 |
Rwork | 0.214 |
R-free | 0.23940 |
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] | 85.360 | 85.360 | 2.260 |
High resolution limit [Å] | 2.200 | 9.840 | 2.200 |
Rmerge | 0.081 | 0.027 | 0.552 |
Rmeas | 0.097 | 0.032 | 0.663 |
Rpim | 0.052 | 0.017 | 0.363 |
Total number of observations | 369134 | 4126 | 27006 |
Number of reflections | 117626 | 1322 | 8840 |
<I/σ(I)> | 7.8 | 16.6 | 2 |
Completeness [%] | 94.1 | 89.4 | 95.9 |
Redundancy | 3.1 | 3.1 | 3.1 |
CC(1/2) | 0.998 | 0.999 | 0.820 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | 0.1 M Bis-Tris, 25% PEG3350 |