3SRV
Crystal structure of spleen tyrosine kinase (SYK) in complex with a diaminopyrimidine carboxamide inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-06-23 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9763 |
Spacegroup name | P 1 |
Unit cell lengths | 40.124, 42.316, 87.621 |
Unit cell angles | 99.68, 90.16, 100.19 |
Refinement procedure
Resolution | 20.000 - 1.950 |
R-factor | 0.1875 |
Rwork | 0.185 |
R-free | 0.24100 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | OTHER IN-HOUSE COORDINATES |
RMSD bond length | 0.012 |
RMSD bond angle | 1.378 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.16) |
Phasing software | REFMAC |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 39.470 | 39.470 | 2.060 |
High resolution limit [Å] | 1.950 | 6.170 | 1.950 |
Rmerge | 0.022 | 0.402 | |
Total number of observations | 2278 | 10756 | |
Number of reflections | 38589 | ||
<I/σ(I)> | 11.1 | 23.5 | 1.7 |
Completeness [%] | 94.7 | 91 | 94.7 |
Redundancy | 1.9 | 1.9 | 1.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 20% PEG3350, 0.2M Na-K-Phosphate, 0.1M Bis-Tris-Propane pH 6.5, 5mM DTT, VAPOR DIFFUSION, HANGING DROP, temperature 293K |