4I24
Structure of T790M EGFR kinase domain co-crystallized with dacomitinib
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 98 |
| Detector technology | CCD |
| Collection date | 2010-09-12 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 |
| Unit cell lengths | 35.848, 76.385, 77.961 |
| Unit cell angles | 67.17, 80.53, 85.67 |
Refinement procedure
| Resolution | 42.550 - 1.800 |
| R-factor | 0.21 |
| Rwork | 0.209 |
| R-free | 0.23900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.800 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNX |
| Refinement software | CNX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.051 | 0.510 |
| Number of reflections | 67776 | |
| <I/σ(I)> | 23.53 | 2.8 |
| Completeness [%] | 97.6 | 96.3 |
| Redundancy | 3.9 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.12-0.14 M ammonium acetate, 12-14% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
