9FZR
Wild-type EGFR in covalent complex with Poziotinib analogue
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-02-12 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.898423 |
| Spacegroup name | I 2 3 |
| Unit cell lengths | 145.823, 145.823, 145.823 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 59.603 - 1.991 |
| Rwork | 0.186 |
| R-free | 0.23320 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.723 |
| Data reduction software | xia2 |
| Data scaling software | pointless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0430 (refmacat 0.4.82)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 59.603 | 2.040 |
| High resolution limit [Å] | 1.990 | 1.990 |
| Rmerge | 0.101 | 5.430 |
| Number of reflections | 35412 | 105527 |
| <I/σ(I)> | 24 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 41 | |
| CC(1/2) | 1.000 | 0.396 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 25mM TRIS-HCL pH8.0, 150mM NaCl, 5% Glycerol, 1mM TCEP, 100mM HEPES pH 7.4, 40% PEG400 |
