4FZ7
Crystal structure of spleen tyrosine kinase complexed with 6-((1R,2S)-2-Amino-cyclohexylamino)-4-(6-ethyl-pyridin-2-ylamino)-pyridazine-3-carboxylic acid amide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 0.97929 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 39.630, 84.977, 88.607 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.490 - 1.750 |
| R-factor | 0.20243 |
| Rwork | 0.200 |
| R-free | 0.24963 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3fqe |
| RMSD bond length | 0.024 |
| RMSD bond angle | 1.925 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | CNS |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.300 | 1.760 |
| High resolution limit [Å] | 1.670 | 1.670 |
| Number of reflections | 35561 | |
| <I/σ(I)> | 11.8 | 1.4 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 6.4 | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 283 | 28% PEG 4000, 0.2M ammonium sulfate, 0.1M HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 283K |
