7KHJ
Crystal structure of KIT kinase domain with a small molecule inhibitor, PLX8512 in the DFG-in state
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 | 2011-10-09 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.116 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 57.743, 61.739, 206.909 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 59.161 - 2.800 |
R-factor | 0.2454 |
Rwork | 0.241 |
R-free | 0.28600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1t45 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.308 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 59.161 | 2.950 |
High resolution limit [Å] | 2.800 | 2.800 |
Number of reflections | 18097 | 2113 |
<I/σ(I)> | 9.6 | |
Completeness [%] | 95.8 | |
Redundancy | 6.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1M Imidazole-HCl, pH7.0, 1M sodium acetate |