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 |