6UKM
STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound MSA-2
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 | 2016-03-09 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0000 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 98.610, 61.150, 36.200 |
Unit cell angles | 90.00, 103.73, 90.00 |
Refinement procedure
Resolution | 47.900 - 1.740 |
R-factor | 0.18 |
Rwork | 0.179 |
R-free | 0.19240 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | pdbid 4KSY |
RMSD bond length | 0.010 |
RMSD bond angle | 1.010 |
Data scaling software | Aimless (0.5.21) |
Refinement software | BUSTER (2.11.6) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.900 | 1.744 |
High resolution limit [Å] | 1.738 | 1.738 |
Rmeas | 0.073 | 0.730 |
Rpim | 0.039 | 0.394 |
Total number of observations | 10069 | |
Number of reflections | 19712 | 3031 |
<I/σ(I)> | 12.1 | 2.1 |
Completeness [%] | 91.3 | 94.5 |
Redundancy | 3.3 | 3.4 |
CC(1/2) | 0.997 | 0.797 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 8.5 | 298 | 25% PEG 6000, 100 mM Tris, 200 mM NaCl, 2 mM DTT |