6GQM
Crystal structure of human c-KIT kinase domain in complex with a small molecule inhibitor, AZD3229
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 2 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-10-12 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.98007 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 87.970, 90.180, 91.150 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.000 - 2.000 |
R-factor | 0.205 |
Rwork | 0.203 |
R-free | 0.23000 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.010 |
Data scaling software | XDS |
Refinement software | BUSTER (2.11.6) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.090 | 2.050 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.102 | 1.258 |
Number of reflections | 49740 | 3532 |
<I/σ(I)> | 11 | 1.1 |
Completeness [%] | 99.8 | 97.6 |
Redundancy | 6.7 | 6.8 |
CC(1/2) | 0.998 | 0.662 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.2 | 293 | 9 % PEG 8000, 18 % ethylene glycol, 0.1 M PCTP pH 6.2, 0.03 M sodium fluoride, 0.03 M sodium bromide, 0.03 M sodium iodide |