2J5E
Crystal structure of EGFR kinase domain in complex with an irreversible inhibitor 13-jab
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 | 2006-04-22 |
| Detector | ADSC CCD |
| Spacegroup name | I 2 3 |
| Unit cell lengths | 145.021, 145.021, 145.021 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 - 3.100 |
| R-factor | 0.191 |
| Rwork | 0.186 |
| R-free | 0.25500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2itw |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.607 |
| Data reduction software | DENZO |
| 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 | 3.340 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Rmerge | 0.090 | 0.400 |
| Number of reflections | 9380 | |
| <I/σ(I)> | 23.4 | 5.6 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 7.3 | 7.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 1.2M NAK TARTRATE, 0.1M HEPES PH 7.5 |
