7N9G
Crystal structure of the Abl 1b Kinase domain in complex with Dasatinib and Imatinib
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2018-03-31 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 1.0 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 69.933, 166.879, 186.817 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.700 - 2.200 |
| Rwork | 0.217 |
| R-free | 0.25110 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2gqg |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.289 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.700 | 2.260 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rpim | 0.030 | |
| Number of reflections | 55951 | 4480 |
| <I/σ(I)> | 15.1 | |
| Completeness [%] | 99.9 | 98.6 |
| Redundancy | 8.6 | 8.7 |
| CC(1/2) | 0.999 | 0.762 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277.15 | Ammonium dihydrogen phosphate |
