3QGW
Crystal Structure of ITK kinase bound to an inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SRS BEAMLINE PX14.1 |
Synchrotron site | SRS |
Beamline | PX14.1 |
Temperature [K] | 273 |
Detector technology | CCD |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.488 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 125.860, 74.380, 78.830 |
Unit cell angles | 90.00, 94.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.100 |
R-factor | 0.245 |
Rwork | 0.245 |
R-free | 0.32000 |
Structure solution method | MOLECULAR REPLACEMENT |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.210 |
High resolution limit [Å] | 2.100 | 2.100 |
Number of reflections | 38981 | |
Completeness [%] | 91.4 | 91.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |