3DPK
cFMS tyrosine kinase in complex with a pyridopyrimidinone inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-11-19 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0 |
| Spacegroup name | H 3 |
| Unit cell lengths | 80.950, 80.950, 145.420 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 34.100 - 1.950 |
| R-factor | 0.192 |
| Rwork | 0.186 |
| R-free | 0.24410 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2i1m |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.018 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNX |
| Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.093 | 0.276 |
| Number of reflections | 27585 | |
| <I/σ(I)> | 12.2 | 4.3 |
| Completeness [%] | 83.8 | 99.6 |
| Redundancy | 3.6 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.2 | 298 | PEG 3350, SODIUM ACETATE, LI2SO4, pH 5.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
