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 |
