5EM6
EGFR kinase domain mutant "TMLR" with pyridone compound 19: 4-[(2-azanylpyrimidin-4-yl)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 | ALS BEAMLINE 5.0.1 |
Synchrotron site | ALS |
Beamline | 5.0.1 |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2012-04-04 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9774 |
Spacegroup name | I 2 3 |
Unit cell lengths | 146.249, 146.249, 146.249 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 59.700 - 2.780 |
R-factor | 0.1962 |
Rwork | 0.195 |
R-free | 0.22900 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.040 |
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] | 59.700 | 2.880 |
High resolution limit [Å] | 2.780 | 2.780 |
Rmerge | 0.487 | |
Number of reflections | 13262 | |
<I/σ(I)> | 28.6 | 5.6 |
Completeness [%] | 100.0 | 100 |
Redundancy | 11.8 | 12 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 292 | PEG 10K, ethylene glycol |