3W32
EGFR kinase domain complexed with compound 20a
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.3 |
| Synchrotron site | ALS |
| Beamline | 5.0.3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-12-21 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97649 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 46.443, 68.306, 103.273 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 1.800 |
| R-factor | 0.20219 |
| Rwork | 0.200 |
| R-free | 0.23552 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1xkk |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.362 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 30817 | |
| <I/σ(I)> | 26.1 | 2 |
| Completeness [%] | 99.7 | 99.9 |
| Redundancy | 4.8 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 298 | 0.1M MES, 0.2M lithium sulfate, 25% PEG 3350, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
