3MS9
ABL kinase in complex with imatinib and a fragment (FRAG1) in the myristate pocket
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 | 2006-08-11 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.0000 |
| Spacegroup name | F 2 2 2 |
| Unit cell lengths | 115.783, 147.346, 152.833 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.920 - 1.800 |
| R-factor | 0.18794 |
| Rwork | 0.186 |
| R-free | 0.23391 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.026 |
| RMSD bond angle | 1.986 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | REFMAC |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.920 | 1.880 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.065 | 0.365 |
| Number of reflections | 58848 | |
| <I/σ(I)> | 11.38 | 2.58 |
| Completeness [%] | 97.6 | 83.3 |
| Redundancy | 4 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.5 | 277 | protein concentration: 20mg/ml. Crystallisation buffer: 0.1M MES pH 6.5, 0.2M MgCl2, 18.4% PEG4000, VAPOR DIFFUSION, temperature 277K |
