2ITO
Crystal structure of EGFR kinase domain G719S mutation in complex with Iressa
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 | 2005-10-24 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | I 2 3 |
| Unit cell lengths | 142.929, 142.929, 142.929 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.510 - 3.250 |
| R-factor | 0.197 |
| Rwork | 0.189 |
| R-free | 0.26600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1m17 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.686 |
| 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 | 3.500 |
| High resolution limit [Å] | 3.250 | 3.250 |
| Rmerge | 0.090 | 0.390 |
| Number of reflections | 8145 | |
| <I/σ(I)> | 29.2 | 5.9 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 7.1 | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 1.2M KNA TARTRATE, 0.1M HEPES 7.5 |
