2J6M
Crystal structure of EGFR kinase domain 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 | 2006-08-21 |
| Detector | ADSC CCD |
| Spacegroup name | I 2 3 |
| Unit cell lengths | 145.309, 145.309, 145.309 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 - 3.100 |
| R-factor | 0.202 |
| Rwork | 0.199 |
| R-free | 0.24900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1m17 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.570 |
| 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 | 3.340 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Rmerge | 0.070 | 0.380 |
| Number of reflections | 9135 | |
| <I/σ(I)> | 22.5 | 3 |
| Completeness [%] | 96.7 | 83.8 |
| Redundancy | 6.4 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 1.2M NAK TARTRATE, 0.1M HEPES 7.5, pH 7.50 |
