5CFO
Crystal structure of anemone STING (Nematostella vectensis) in apo 'rotated' open 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 | 2015-03-06 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.11587 |
| Spacegroup name | P 31 |
| Unit cell lengths | 82.296, 82.296, 100.346 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 41.148 - 2.102 |
| R-factor | 0.1735 |
| Rwork | 0.172 |
| R-free | 0.20180 |
| Structure solution method | SAD |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.322 |
| 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] | 41.150 | 2.160 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.044 | 0.882 |
| Number of reflections | 43684 | |
| <I/σ(I)> | 9.4 | 1 |
| Completeness [%] | 98.4 | 81.1 |
| Redundancy | 11.3 | 8.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 1.8 M ammonium citrate pH 7.0 |
