2J5E
Crystal structure of EGFR kinase domain in complex with an irreversible inhibitor 13-jab
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-04-22 |
Detector | ADSC CCD |
Spacegroup name | I 2 3 |
Unit cell lengths | 145.021, 145.021, 145.021 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.000 - 3.100 |
R-factor | 0.191 |
Rwork | 0.186 |
R-free | 0.25500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2itw |
RMSD bond length | 0.016 |
RMSD bond angle | 1.607 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.340 |
High resolution limit [Å] | 3.100 | 3.100 |
Rmerge | 0.090 | 0.400 |
Number of reflections | 9380 | |
<I/σ(I)> | 23.4 | 5.6 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 7.3 | 7.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | 1.2M NAK TARTRATE, 0.1M HEPES PH 7.5 |