7KHG
Crystal structure of KIT kinase domain with a small molecule inhibitor, PLX3397
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 | 2006-03-29 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.1159 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 111.133, 81.961, 50.061 |
| Unit cell angles | 90.00, 107.60, 90.00 |
Refinement procedure
| Resolution | 64.823 - 2.150 |
| R-factor | 0.1837 |
| Rwork | 0.182 |
| R-free | 0.20330 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1t45 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.883 |
| 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] | 64.823 | 2.270 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Number of reflections | 23250 | 3160 |
| <I/σ(I)> | 7.9 | |
| Completeness [%] | 99.6 | |
| Redundancy | 3.6 | |
| CC(1/2) | 0.419 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 1.6M ammonium sulfate, 2.0M sodium Chloride and 0.1M Bis-Tris, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
