4I22
Structure of the monomeric (V948R)gefitinib/erlotinib resistant double mutant (L858R+T790M) EGFR kinase domain co-crystallized with gefitinib
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 98 |
| Detector technology | PIXEL |
| Collection date | 2011-08-18 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 2 1 |
| Unit cell lengths | 76.519, 35.486, 77.781 |
| Unit cell angles | 90.00, 112.89, 90.00 |
Refinement procedure
| Resolution | 42.640 - 1.710 |
| R-factor | 0.198 |
| Rwork | 0.197 |
| R-free | 0.22400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.800 |
| Data scaling software | autoPROC |
| Phasing software | CNX |
| Refinement software | CNX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.640 | 1.810 |
| High resolution limit [Å] | 1.710 | 1.710 |
| Rmerge | 0.028 | 0.342 |
| Number of reflections | 39302 | |
| <I/σ(I)> | 19.9 | 2.5 |
| Completeness [%] | 94.4 | 79.3 |
| Redundancy | 3.2 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 294 | 25.0% PEG 3350, 0.2 M Li Sulfate, 0.1 M Bis-Tris pH 5.50, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
