6XVB
Crystal structure of the kinase domain of human c-KIT with a cyclic imidate inhibitor covalently bound to Cys788
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-06-28 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.97623 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 87.710, 90.272, 91.178 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 63.210 - 2.150 |
| R-factor | 0.194 |
| Rwork | 0.192 |
| R-free | 0.22300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | internal model |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.060 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | AMoRE |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 63.211 | 2.251 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.096 | |
| Number of reflections | 35714 | 1783 |
| <I/σ(I)> | 9.9 | |
| Completeness [%] | 92.7 | 47.7 |
| Redundancy | 6.7 | 1.4 |
| CC(1/2) | 0.999 | 0.509 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.2 | 293 | 9 % PEG8000, 18 % ethylene glycol, 10 % MORPHEUS halogens, 0.1 M Imidazole-MES buffer pH 6.2 |
