2J5F
Crystal structure of EGFR kinase domain in complex with an irreversible inhibitor 34-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 | 145.876, 145.876, 145.876 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.000 - 3.000 |
R-factor | 0.194 |
Rwork | 0.190 |
R-free | 0.24600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2itw |
RMSD bond length | 0.020 |
RMSD bond angle | 1.580 |
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 | 3.180 |
High resolution limit [Å] | 2.950 | 2.950 |
Rmerge | 0.080 | 0.400 |
Number of reflections | 10540 | |
<I/σ(I)> | 25.3 | 5.4 |
Completeness [%] | 95.1 | 75.2 |
Redundancy | 7.2 | 7.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | 1.2M NAK TARTRATE, 0.1M HEPES PH 7.5 |