5Y5U
Crystal structures of spleen tyrosine kinase in complex with a novel inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL26B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL26B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-11-10 |
| Detector | RIGAKU JUPITER 210 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 |
| Unit cell lengths | 40.155, 42.013, 87.660 |
| Unit cell angles | 79.83, 90.78, 79.60 |
Refinement procedure
| Resolution | 30.000 - 2.140 |
| R-factor | 0.23903 |
| Rwork | 0.238 |
| R-free | 0.25989 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4xg2 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.657 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.170 |
| High resolution limit [Å] | 2.130 | 2.130 |
| Rmerge | 0.069 | 0.284 |
| Number of reflections | 28936 | |
| <I/σ(I)> | 16.5 | 2.3 |
| Completeness [%] | 94.3 | 82.4 |
| Redundancy | 2.04 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 10-20% PEG 3350, 100mM Tris-HCl, pH 8.5 |
