6XV9
Crystal structure of the kinase domain of human c-KIT in complex with a type-II inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-08-08 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 89.632, 90.614, 87.042 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 63.720 - 3.380 |
| R-factor | 0.197 |
| Rwork | 0.195 |
| R-free | 0.24660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | internal model |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.110 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.12) |
| Phasing software | PHASER (2.5.7) |
| Refinement software | BUSTER |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 90.610 | 90.610 | 3.570 |
| High resolution limit [Å] | 3.380 | 10.700 | 3.380 |
| Rmerge | 0.219 | 0.110 | 0.664 |
| Rmeas | 0.246 | 0.125 | 0.746 |
| Rpim | 0.111 | 0.057 | 0.335 |
| Total number of observations | 49007 | 1557 | 7137 |
| Number of reflections | 10347 | 390 | 1476 |
| <I/σ(I)> | 6.3 | 14.9 | 2.1 |
| Completeness [%] | 99.6 | 99.5 | 99.8 |
| Redundancy | 4.7 | 4 | 4.8 |
| CC(1/2) | 0.984 | 0.990 | 0.806 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.5 | 293 | 10 % PEG4000, 20 % glycerol, 10 % MORPHEUS halogens, 0.1 M Imidazole-MES buffer pH 6.5 |
