5UWD
Crystal structure of EGFR kinase domain (L858R, T790M, V948R) in complex with the covalent inhibitor CO-1686
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 | 2013-04-03 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 78.926, 78.926, 215.596 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 68.350 - 3.060 |
| R-factor | 0.216 |
| Rwork | 0.213 |
| R-free | 0.28000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.260 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 68.350 | 3.230 |
| High resolution limit [Å] | 3.060 | 3.060 |
| Number of reflections | 8139 | 1136 |
| <I/σ(I)> | 31.7 | 3.4 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 18.3 | 19.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 286 | 0.1 M Tris (pH 8.50), 0.1 M potassium sulfate, 22.7 %w/v PEG 4000 |
