5Y5T
Crystal structures of spleen tyrosine kinase in complex with a novel inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 5C (4A) |
| Synchrotron site | PAL/PLS |
| Beamline | 5C (4A) |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-05-27 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 40.246, 84.979, 42.142 |
| Unit cell angles | 90.00, 99.59, 90.00 |
Refinement procedure
| Resolution | 42.490 - 1.800 |
| R-factor | 0.19608 |
| Rwork | 0.194 |
| R-free | 0.23440 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4xg2 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.312 |
| 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] | 50.000 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.052 | 0.369 |
| Number of reflections | 24430 | |
| <I/σ(I)> | 49.2 | 3.5 |
| Completeness [%] | 93.9 | 54.5 |
| Redundancy | 7.02 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 10-20% PEG 3350, 100mM Tris-HCl, pH 8.5 |
