3DK6
Crystal structure of mutant ABL kinase domain in complex with small molecule fragment
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-02-09 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.97969 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 105.356, 131.908, 56.641 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.800 - 2.020 |
| Rwork | 0.216 |
| R-free | 0.24600 |
| Data scaling software | SCALA (3.2.5) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 29.847 |
| High resolution limit [Å] | 2.016 |
| Rmerge | 0.146 |
| Number of reflections | 52435 |
| <I/σ(I)> | 4.5 |
| Completeness [%] | 99.1 |
| Redundancy | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5.6 | 292 | 1.95M AMMONIUM SULFATE, 125 mM POTASSIUM SODIUM TARTRATE, 100 mM SODIUM CITRATE, pH 5.6, VAPOR DIFFUSION, temperature 292K |
