8PNZ
Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 16 bound to EGFR
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-04-29 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97949 |
Spacegroup name | I 2 3 |
Unit cell lengths | 143.990, 143.990, 143.990 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 72.000 - 2.510 |
R-factor | 0.2288 |
Rwork | 0.226 |
R-free | 0.28450 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 0.930 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.8 (24-FEB-2021)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 72.000 | 2.550 |
High resolution limit [Å] | 2.510 | 2.510 |
Number of reflections | 17124 | 856 |
<I/σ(I)> | 20.6 | |
Completeness [%] | 100.0 | |
Redundancy | 18.9 | |
CC(1/2) | 0.999 | 0.592 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 0.68M Na3Cit pHed to pH 7.5 using conc HCl |