2ITP
Crystal structure of EGFR kinase domain G719S mutation in complex with AEE788
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-12-03 |
| Detector | ADSC CCD |
| Spacegroup name | I 2 3 |
| Unit cell lengths | 144.624, 144.624, 144.624 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.800 - 2.740 |
| R-factor | 0.2 |
| Rwork | 0.196 |
| R-free | 0.25500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1m17 |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.785 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.950 |
| High resolution limit [Å] | 2.740 | 2.740 |
| Rmerge | 0.060 | 0.370 |
| Number of reflections | 13390 | |
| <I/σ(I)> | 38.6 | 6.1 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 7.2 | 7.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 1.2M KNA TARTRATE, 0.1M HEPES 7.5 |
