5C26
Crystal structure of SYK in complex with compound 1
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 | 2014-06-11 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 39.990, 85.720, 89.960 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.980 - 1.950 |
R-factor | 0.1864 |
Rwork | 0.185 |
R-free | 0.21480 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.010 |
RMSD bond angle | 1.040 |
Data scaling software | Aimless |
Phasing software | BUSTER |
Refinement software | BUSTER (2.9.5) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 90.000 |
High resolution limit [Å] | 1.950 |
Number of reflections | 23209 |
<I/σ(I)> | 16.2 |
Completeness [%] | 98.3 |
Redundancy | 6.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 5.5 | 295 | 1.75 M ammonium sulfate, 0.1 M sodium citrate, 0.1 M sodium acetate pH 5.5 |