2HIW
Crystal Structure of Inactive Conformation Abl Kinase Catalytic Domain Complexed with Type II Inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.3 |
Synchrotron site | ALS |
Beamline | 5.0.3 |
Temperature [K] | 200 |
Detector technology | CCD |
Collection date | 2004-12-09 |
Detector | ADSC QUANTUM 4 |
Spacegroup name | P 41 |
Unit cell lengths | 41.485, 41.485, 332.602 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 83.040 - 2.200 |
R-factor | 0.246 |
Rwork | 0.243 |
R-free | 0.30900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1iep |
RMSD bond length | 0.009 |
RMSD bond angle | 1.530 |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 83.045 | |
High resolution limit [Å] | 2.200 | 2.200 |
Number of reflections | 22256 | |
<I/σ(I)> | 31.4 | 5 |
Completeness [%] | 81.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5.5 | 298 | 18-20% PEG4000, 100mM MES pH5.5, 200mM MgCl2, VAPOR DIFFUSION, HANGING DROP, temperature 298K, pH 5.50 |