3TUB
Crystal structure of SYK kinase domain with 1-(5-(6,7-dimethoxyquinolin-4-yloxy)pyridin-2-yl)-3-((1R,2S)-2-phenylcyclopropyl)urea
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 | 2010-12-20 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 45.920, 71.620, 84.210 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.110 - 2.230 |
| R-factor | 0.1823 |
| Rwork | 0.180 |
| R-free | 0.23240 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.040 |
| Data scaling software | autoPROC |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.9.6) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 84.000 | 2.239 |
| High resolution limit [Å] | 2.230 | 2.230 |
| Number of reflections | 83299 | |
| Completeness [%] | 99.4 | 90.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | 25% PEG 3350, 0.2M NaCl, 0.1M bis-Tris pH6.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
