2ITW
Crystal structure of EGFR kinase domain in complex with AFN941
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X25 |
Synchrotron site | NSLS |
Beamline | X25 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-08-04 |
Detector | ADSC QUANTUM-4 |
Spacegroup name | I 2 3 |
Unit cell lengths | 144.446, 144.446, 144.446 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.080 - 2.880 |
R-factor | 0.191 |
Rwork | 0.187 |
R-free | 0.25600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1m14 |
RMSD bond length | 0.017 |
RMSD bond angle | 1.818 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.100 |
High resolution limit [Å] | 2.880 | 2.880 |
Rmerge | 0.070 | 0.400 |
Number of reflections | 11527 | |
<I/σ(I)> | 33.6 | 5.4 |
Completeness [%] | 100.0 | 100 |
Redundancy | 7.1 | 7.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | 1.2M KNA TARTRATE, 0.1M HEPES 7.5, pH 7.50 |