4I1Z
Crystal structure of the monomeric (V948R) form of the gefitinib/erlotinib resistant EGFR kinase domain L858R+T790M
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 | 2011-02-12 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 107.603, 107.603, 104.025 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 53.800 - 3.000 |
| R-factor | 0.189 |
| Rwork | 0.187 |
| R-free | 0.22700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.900 |
| Data scaling software | autoPROC |
| Phasing software | CNX |
| Refinement software | CNX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 53.800 | 3.130 |
| High resolution limit [Å] | 2.970 | 2.970 |
| Rmerge | 0.142 | 0.531 |
| Number of reflections | 14678 | |
| <I/σ(I)> | 14 | 4.4 |
| Completeness [%] | 99.7 | 99.7 |
| Redundancy | 9.8 | 10.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 294 | 2.5-2.8M K Acetate, 0.1M ADA pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
