5EM7
EGFR kinase domain mutant "TMLR" with pyridone compound 13: 4-[(2-methoxyphenyl)amino]-~{N}-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxidanylidene-1~{H}-pyridine-3-carboxamide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 110 |
| Detector technology | PIXEL |
| Collection date | 2013-12-18 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | I 2 3 |
| Unit cell lengths | 146.105, 146.105, 146.105 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.050 - 2.810 |
| R-factor | 0.19 |
| Rwork | 0.189 |
| R-free | 0.21590 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.040 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.050 | 2.910 |
| High resolution limit [Å] | 2.810 | 2.810 |
| Rmerge | 0.736 | |
| Number of reflections | 12247 | |
| <I/σ(I)> | 15.7 | 1.7 |
| Completeness [%] | 96.7 | 97.3 |
| Redundancy | 3.5 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 292 | PEG 10K, ethylene glycol |
