5JEB
Crystal structure of EGFR tyrosine kinase domain with novel inhibitor of active state of HER2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 80 |
| Detector technology | CCD |
| Collection date | 2014-08-20 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.03320 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 69.435, 69.435, 191.520 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 34.717 - 3.298 |
| R-factor | 0.2437 |
| Rwork | 0.242 |
| R-free | 0.27030 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1m17 |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.628 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.360 |
| High resolution limit [Å] | 3.298 | 3.298 |
| Number of reflections | 8562 | |
| <I/σ(I)> | 21.4 | 1.26 |
| Completeness [%] | 99.7 | 99.7 |
| Redundancy | 3.4 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 294.15 | 1.34M Ammonium sulfate, 1.34% (v/v) PEG 400, and 0.1M sodium acetate/acetic acid |
