2ITZ
Crystal structure of EGFR kinase domain L858R mutation in complex with Iressa
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 | 2006-07-21 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | I 2 3 |
| Unit cell lengths | 145.929, 145.929, 145.929 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 - 2.800 |
| R-factor | 0.205 |
| Rwork | 0.202 |
| R-free | 0.25500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1m17 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.631 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.020 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.060 | 0.330 |
| Number of reflections | 12826 | |
| <I/σ(I)> | 22.5 | 3.3 |
| Completeness [%] | 93.9 | 85.3 |
| Redundancy | 4.9 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 40% PEG400, 0.15M NACL, 0.1M HEPES PH7.5, pH 7.50 |
