5EM8
EGFR kinase domain 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 | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2012-04-12 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.000 |
Spacegroup name | I 2 3 |
Unit cell lengths | 147.661, 147.661, 147.661 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.690 - 2.800 |
R-factor | 0.191 |
Rwork | 0.189 |
R-free | 0.22900 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.100 |
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] | 46.700 | 2.900 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.588 | |
Number of reflections | 13327 | |
<I/σ(I)> | 43.2 | 5 |
Completeness [%] | 100.0 | 100 |
Redundancy | 12.9 | 13.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 292 | sodium/potassium tartrate |