4F5W
Crystal structure of ligand free human STING CTD
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-11-25 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97946 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 81.099, 91.028, 73.395 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.514 - 2.201 |
| R-factor | 0.2376 |
| Rwork | 0.235 |
| R-free | 0.27480 |
| Structure solution method | SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.241 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SOLVE |
| Refinement software | PHENIX ((phenix.refine: 1.7.2_869)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 4.740 | 2.200 |
| Rmerge | 0.071 | 0.049 | 0.421 |
| Number of reflections | 14048 | ||
| <I/σ(I)> | 29.11 | 5.82 | |
| Completeness [%] | 99.7 | 97.5 | 100 |
| Redundancy | 7 | 6.3 | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.08M Sodium cacodylate pH 6.5, 0.16M Calcium acetate, 15% PEG 8000, 20% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
