2JIU
Crystal structure of EGFR kinase domain T790M mutation in complex with AEE788
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-03-11 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 48.405, 88.643, 164.867 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.120 - 3.050 |
| R-factor | 0.214 |
| Rwork | 0.211 |
| R-free | 0.27700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2jit |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.367 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.3.0026) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.290 |
| High resolution limit [Å] | 3.050 | 3.050 |
| Rmerge | 0.100 | 0.390 |
| Number of reflections | 14268 | |
| <I/σ(I)> | 17.5 | 4 |
| Completeness [%] | 99.8 | 99.4 |
| Redundancy | 5.8 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 0.1M HEPES 7.5, 0.3M NACL, 21% PEG6K, 5MM TCEP |
