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 |