3W2S
EGFR kinase domain with compound4
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 | 2012-04-13 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97649 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 46.759, 68.446, 105.020 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 1.900 |
| R-factor | 0.20656 |
| Rwork | 0.204 |
| R-free | 0.25763 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1xkk |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.305 |
| 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 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 26379 | |
| <I/σ(I)> | 23.9 | 2.3 |
| Completeness [%] | 96.6 | 72.4 |
| Redundancy | 6.5 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.1M Bis-tris pH 6.5, 0.2M lithium sulfate, 24% PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
