8FV4
EGFR(T790M/V948R) in complex with compound 2 (LN5993)
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 | 2022-04-19 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 0.97918 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 70.606, 100.485, 87.318 |
Unit cell angles | 90.00, 102.32, 90.00 |
Refinement procedure
Resolution | 65.030 - 2.200 |
R-factor | 0.2039 |
Rwork | 0.202 |
R-free | 0.26110 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.010 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 65.030 | 2.240 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.073 | 0.436 |
Rmeas | 0.087 | 0.517 |
Rpim | 0.046 | 0.274 |
Total number of observations | 202066 | 10252 |
Number of reflections | 59580 | 2980 |
<I/σ(I)> | 9.7 | 1 |
Completeness [%] | 98.5 | |
Redundancy | 3.4 | 3.4 |
CC(1/2) | 0.997 | 0.894 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.7 | 298 | 0.1 M Bis-Tris pH 5.7, 30% PEG 3350 |