5CFR
Crystal structure of anemone STING (Nematostella vectensis) in apo 'unrotated' closed conformation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 80 |
| Detector technology | CCD |
| Collection date | 2014-10-29 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.11587 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 43.043, 43.037, 170.942 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.740 - 2.850 |
| R-factor | 0.2579 |
| Rwork | 0.257 |
| R-free | 0.27770 |
| Structure solution method | SAD |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.805 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.040 | 3.000 |
| High resolution limit [Å] | 2.850 | 2.850 |
| Rmerge | 0.038 | 0.231 |
| Number of reflections | 7901 | |
| <I/σ(I)> | 12.6 | 3.2 |
| Completeness [%] | 99.4 | 97.5 |
| Redundancy | 3.9 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 200 mM CaCl2, 100 mM HEPES-KOH pH 7.5, 28% PEG-400 |
