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 |