5EM5
EGFR kinase domain mutant "TMLR" with pyridone compound 2: 4-[2-(4-chlorophenyl)ethylamino]-~{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 | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2012-02-12 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.00 |
| Spacegroup name | I 2 3 |
| Unit cell lengths | 148.968, 148.968, 148.968 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.100 - 2.650 |
| R-factor | 0.2127 |
| Rwork | 0.212 |
| R-free | 0.22290 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.000 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.100 | 2.750 |
| High resolution limit [Å] | 2.650 | 2.650 |
| Rmerge | 0.686 | |
| Number of reflections | 16103 | |
| <I/σ(I)> | 30.3 | 5 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 13.7 | 13.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 292 | PEG 10K, ethylene glycol |
