4XLI
Crystal structure of Abl2/Arg kinase in complex with dasatinib
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 83 |
| Detector technology | CCD |
| Collection date | 2014-06-07 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97916 |
| Spacegroup name | P 65 |
| Unit cell lengths | 109.688, 109.688, 121.520 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.500 - 2.500 |
| R-factor | 0.157 |
| Rwork | 0.154 |
| R-free | 0.20500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2xyn |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.015 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0071) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.500 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Number of reflections | 29610 | |
| <I/σ(I)> | 8.5 | 1.17 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 11.1 | 11 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 295 | 0.1 M HEPES pH 7.0, 1.3M Sodium Malonate, 2.5 % Jeffamine ED-2001 |
