3DK3
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 | 2007-03-04 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.97969 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 106.254, 131.806, 56.229 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.400 - 2.020 |
| Rwork | 0.213 |
| R-free | 0.24800 |
| Data scaling software | SCALA (3.2.5) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 28.433 |
| High resolution limit [Å] | 2.020 |
| Rmerge | 0.244 |
| Number of reflections | 52186 |
| <I/σ(I)> | 2.7 |
| Completeness [%] | 99.2 |
| Redundancy | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5.6 | 292 | 1.9M AMMONIUM SULFATE, 150 mM POTASSIUM SODIUM TARTRATE, 100 Mm SODIUM CITRATE, pH 5.6, VAPOR DIFFUSION, temperature 292K |
