3K5V
Structure of Abl kinase in complex with imatinib and GNF-2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-02-25 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.0016 |
| Spacegroup name | P 1 |
| Unit cell lengths | 42.070, 65.268, 66.259 |
| Unit cell angles | 72.82, 80.25, 84.86 |
Refinement procedure
| Resolution | 38.950 - 1.740 |
| R-factor | 0.20062 |
| Rwork | 0.199 |
| R-free | 0.23117 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1opj |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.176 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | REFMAC (5.5.0063) |
| Refinement software | REFMAC (5.5.0063) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 62.500 | 1.800 |
| High resolution limit [Å] | 1.740 | 1.740 |
| Rmerge | 0.052 | 0.450 |
| Number of reflections | 64929 | |
| <I/σ(I)> | 16.5 | 3.4 |
| Completeness [%] | 95.3 | 86.2 |
| Redundancy | 3.9 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 277 | 0.1 M MES pH 5.6, 0.2 M MgCl2, 18 % PEG 4000, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
