3G0E
KIT kinase domain in complex with sunitinib
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 98 |
| Detector technology | CCD |
| Collection date | 2007-03-10 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 48.033, 80.973, 93.320 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.600 |
| R-factor | 0.201 |
| Rwork | 0.200 |
| R-free | 0.21200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1t45 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.788 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNX |
| Refinement software | CNX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.660 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.039 | 0.241 |
| Number of reflections | 48589 | |
| <I/σ(I)> | 6.6 | |
| Completeness [%] | 99.7 | 100 |
| Redundancy | 4.9 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9 | 286 | Reservoir: 10% PEG6000, 0.1 M bicine, pH 9; Protein: 6.6 mg/ml in 0.25M NaCl, 25mM Tris, pH 7.5, 1mM EDTA, 0.5mM TCEP, VAPOR DIFFUSION, HANGING DROP, temperature 286K |
