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 |