5T68
Crystal structure of Syk catalytic domain in complex with a furo[3,2-d]pyrimidine
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 | PIXEL |
Collection date | 2011-07-20 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.00 |
Spacegroup name | P 1 |
Unit cell lengths | 38.605, 40.030, 84.046 |
Unit cell angles | 90.16, 89.98, 99.80 |
Refinement procedure
Resolution | 84.050 - 2.930 |
R-factor | 0.188 |
Rwork | 0.183 |
R-free | 0.28100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3fqs |
RMSD bond length | 0.010 |
RMSD bond angle | 1.160 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.6) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 84.050 |
High resolution limit [Å] | 2.930 |
Number of reflections | 10314 |
<I/σ(I)> | 6.7 |
Completeness [%] | 97.1 |
Redundancy | 1.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 14-18% PEG3350, 100 mM Tris pH 8.5 using a seed stock that was grown in PEG 3350 13-20% and 100 mM Tris pH 8.5 |