3QGY
Crystal structure of ITK inhibitor complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Wavelength(s) | 1.542 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 125.860, 74.381, 78.833 |
| Unit cell angles | 90.00, 93.99, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.100 |
| R-factor | 0.208 |
| Rwork | 0.208 |
| R-free | 0.24700 |
| 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 | 2.200 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Number of reflections | 40537 | |
| Completeness [%] | 95.5 | 95.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
