6XVA
Crystal structure of the kinase domain of human c-KIT in complex with a type-II inhibitor bearing an acrylamide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-11-03 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97858 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 88.135, 90.045, 90.745 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.068 - 2.300 |
| R-factor | 0.198 |
| Rwork | 0.196 |
| R-free | 0.24500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | internal model |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.130 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | AMoRE |
| Refinement software | BUSTER |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 45.370 | 44.068 | 2.480 |
| High resolution limit [Å] | 2.297 | 7.324 | 2.297 |
| Rmerge | 0.130 | 0.043 | 1.101 |
| Rmeas | 0.145 | 0.048 | 1.200 |
| Rpim | 0.063 | 0.021 | 0.471 |
| Total number of observations | 5009 | 7039 | |
| Number of reflections | 22158 | 1106 | 1109 |
| <I/σ(I)> | 9.8 | 27.2 | 1.6 |
| Completeness [%] | 93.7 | 98.8 | 82.7 |
| Redundancy | 5.1 | 4.5 | 6.3 |
| CC(1/2) | 0.997 | 0.998 | 0.700 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 | 293 | 10 % PEG4000, 20 % glycerol, 10 % MORPHEUS carboxylic acids, 0.1 M HEPES-MOPS buffer pH 7.5 |
