4HVS
Crystal structure of KIT kinase domain with a small molecule inhibitor, PLX647
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-06-10 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.1159 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 110.735, 81.863, 50.055 |
| Unit cell angles | 90.00, 107.81, 90.00 |
Refinement procedure
| Resolution | 52.700 - 1.900 |
| R-factor | 0.2003 |
| Rwork | 0.199 |
| R-free | 0.22700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1t45 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.411 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 64.660 | 1.950 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Number of reflections | 35908 | |
| Completeness [%] | 98.8 | 98.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | 1.6M ammonium sulfate, 2.0M sodium Chloride and 0.1M Bis-Tris, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
